[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate

C26H33N3O6 — CID 118296381

IUPAC[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C26H33N3O6/c1-18(30)34-20-11-9-19(10-12-20)17-22(28-25(32)35-26(2,3)4)24(31)27-21-7-5-6-8-23(21)29-13-15-33-16-14-29/h5-12,22H,13-17H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyRYTCKMGXNWNPFC-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.52
Rot. Bonds7

About [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate

[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate (PubChem CID 118296381) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate
PubChem CID118296381
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Name[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C26H33N3O6/c1-18(30)34-20-11-9-19(10-12-20)17-22(28-25(32)35-26(2,3)4)24(31)27-21-7-5-6-8-23(21)29-13-15-33-16-14-29/h5-12,22H,13-17H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyRYTCKMGXNWNPFC-UHFFFAOYSA-N
XLogP3.52
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate 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

tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 110425333
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
CID 76787165
[4-[2-[(2-fluorobenzoyl)amino]-4-(2-morpholin-4-ylphenyl)-3-oxobutyl]phenyl] acetate
CID 158287580
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
tert-butyl N-[1-oxo-3-phenyl-1-(2-propan-2-ylanilino)propan-2-yl]carbamate
CID 134100809
1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
tert-butyl N-[(2S)-1-anilino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate
CID 69346672
[4-(diazenylmethyl)phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 102241842
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
CID 68753649
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]benzoate
CID 10552473

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate?
The IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate (CID 118296381) is [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate.
What is the SMILES notation for [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate?
The canonical SMILES for [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate is CC(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate?
The InChIKey is RYTCKMGXNWNPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-18(30)34-20-11-9-19(10-12-20)17-22(28-25(32)35-26(2,3)4)24(31)27-21-7-5-6-8-23(21)29-13-15-33-16-14-29/h5-12,22H,13-17H2,1-4H3,(H,27,31)(H,28,32).
What are the key properties of [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate?
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate has a molecular weight of 483.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate is sourced from PubChem (CID 118296381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).