[(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea

C23H35N3O — CID 7329244

IUPAC[(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1
InChIInChI=1S/C23H35N3O/c1-14(25-26-21(24)27)15-9-12-23(4)16(13-15)5-6-17-18-10-11-22(2,3)19(18)7-8-20(17)23/h9,16-17,20H,5-8,10-13H2,1-4H3,(H3,24,26,27)/b25-14-/t16-,17-,20+,23-/m0/s1
InChIKeyIYDBAKSZTCQSKT-VGMJIPIPSA-N
MW369.55 g/mol
LogP5.31
Rot. Bonds2

About [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea

[(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea (PubChem CID 7329244) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea
PubChem CID7329244
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name[(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1
InChIInChI=1S/C23H35N3O/c1-14(25-26-21(24)27)15-9-12-23(4)16(13-15)5-6-17-18-10-11-22(2,3)19(18)7-8-20(17)23/h9,16-17,20H,5-8,10-13H2,1-4H3,(H3,24,26,27)/b25-14-/t16-,17-,20+,23-/m0/s1
InChIKeyIYDBAKSZTCQSKT-VGMJIPIPSA-N
XLogP5.31
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,5R,8R,9S,10R)-10,17,17-trimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 11868190
(3R,5R,8R,9S,10S)-10,17,17-trimethylspiro[1,2,4,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]
CID 25422316
17-(hydroxymethyl)-2,10,17-trimethyl-1,2,4,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163179103
[(Z)-1-[(1R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ethylideneamino]urea
CID 172965576
(8R,9S,10R,17S)-4-chloro-17-(hydroxymethyl)-10,17-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 132544870
cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7159280
[(E)-[(3R,5S,8S,9S,10S,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]amino]urea
CID 172972320
[(3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene)amino]urea
CID 3733301
[(E)-4-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]butan-2-ylideneamino]urea
CID 177427437
[(3S,8S,9R,10R,13S,14R,17Z)-17-(carbamoylhydrazinylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 124867310
[(8R,9S,10S,13S,14S,17S)-3-(methoxycarbamoyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
CID 15485982
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea?
The IUPAC name of [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea (CID 7329244) is [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea?
The canonical SMILES for [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea is C/C(=N/NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1.
What is the InChIKey of [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea?
The InChIKey is IYDBAKSZTCQSKT-VGMJIPIPSA-N. The full InChI is InChI=1S/C23H35N3O/c1-14(25-26-21(24)27)15-9-12-23(4)16(13-15)5-6-17-18-10-11-22(2,3)19(18)7-8-20(17)23/h9,16-17,20H,5-8,10-13H2,1-4H3,(H3,24,26,27)/b25-14-/t16-,17-,20+,23-/m0/s1.
What are the key properties of [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea?
[(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea has a molecular weight of 369.55 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(5S,8R,9R,10S)-10,17,17-trimethyl-4,5,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]ethylideneamino]urea is sourced from PubChem (CID 7329244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).