(1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

C23H32N2O — CID 130291654

IUPAC(1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
SMILESC[C@@H](NC1CC[C@]23CCCCC2[C@H]1Cc1ccc(C(N)=O)cc13)C1CC1
InChIInChI=1S/C23H32N2O/c1-14(15-5-6-15)25-21-9-11-23-10-3-2-4-19(23)18(21)12-16-7-8-17(22(24)26)13-20(16)23/h7-8,13-15,18-19,21,25H,2-6,9-12H2,1H3,(H2,24,26)/t14-,18-,19?,21?,23-/m1/s1
InChIKeyASZATANXONTGHC-BJYALIPOSA-N
MW352.52 g/mol
LogP3.94
Rot. Bonds4

About (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

(1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide (PubChem CID 130291654) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name(1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
PubChem CID130291654
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name(1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
SMILESC[C@@H](NC1CC[C@]23CCCCC2[C@H]1Cc1ccc(C(N)=O)cc13)C1CC1
InChIInChI=1S/C23H32N2O/c1-14(15-5-6-15)25-21-9-11-23-10-3-2-4-19(23)18(21)12-16-7-8-17(22(24)26)13-20(16)23/h7-8,13-15,18-19,21,25H,2-6,9-12H2,1H3,(H2,24,26)/t14-,18-,19?,21?,23-/m1/s1
InChIKeyASZATANXONTGHC-BJYALIPOSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide with MolForge

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Related Compounds

(1R,9R)-17-[[(2R)-butan-2-yl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 155091962
3-[(1S,4aR)-1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl]-4-ethylbenzamide;(1R)-1-cyclopropylethanamine
CID 144749127
(1S,9S,10S)-17-[(1R)-1-cyclobutylethyl]-13-oxotetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CID 134185104
(1R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CID 10427272
(1R,9R)-17-[(1S)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-10-[(1S)-1-cyclopropylethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R)-17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CID 158461657
17-(1-cyclopropylethyl)-N-[(2,4-dimethoxyphenyl)methyl]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CID 123600766
[(1S,9R,10R)-17-methyl-4-tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trienyl]oxidanium
CID 163474888
(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 170191844
3-[(1R,4aR,8aR)-2-(cyclopropylmethyl)-1-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]-4-methylbenzamide
CID 146226382
(1S,9S)-N'-acetyl-N-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carbohydrazide
CID 122507838
(1R,9S,10S)-17-(cyclobutylmethyl)tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 129253369
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide (CID 130291654) is (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide is C[C@@H](NC1CC[C@]23CCCCC2[C@H]1Cc1ccc(C(N)=O)cc13)C1CC1.
What is the InChIKey of (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The InChIKey is ASZATANXONTGHC-BJYALIPOSA-N. The full InChI is InChI=1S/C23H32N2O/c1-14(15-5-6-15)25-21-9-11-23-10-3-2-4-19(23)18(21)12-16-7-8-17(22(24)26)13-20(16)23/h7-8,13-15,18-19,21,25H,2-6,9-12H2,1H3,(H2,24,26)/t14-,18-,19?,21?,23-/m1/s1.
What are the key properties of (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
(1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-17-[[(1R)-1-cyclopropylethyl]amino]tetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 130291654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).