N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide

C27H33N3O5 — CID 146222498

IUPACN-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CC2CC2)C(=O)NC(Cc2ccccc2)C(O)C(=O)NC2CC2)c1
InChIInChI=1S/C27H33N3O5/c1-35-21-9-5-8-19(16-21)25(32)30-23(15-18-10-11-18)26(33)29-22(14-17-6-3-2-4-7-17)24(31)27(34)28-20-12-13-20/h2-9,16,18,20,22-24,31H,10-15H2,1H3,(H,28,34)(H,29,33)(H,30,32)
InChIKeySOLGYRROTCILCP-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.96
Rot. Bonds12

About N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide

N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide (PubChem CID 146222498) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
PubChem CID146222498
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC NameN-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CC2CC2)C(=O)NC(Cc2ccccc2)C(O)C(=O)NC2CC2)c1
InChIInChI=1S/C27H33N3O5/c1-35-21-9-5-8-19(16-21)25(32)30-23(15-18-10-11-18)26(33)29-22(14-17-6-3-2-4-7-17)24(31)27(34)28-20-12-13-20/h2-9,16,18,20,22-24,31H,10-15H2,1H3,(H,28,34)(H,29,33)(H,30,32)
InChIKeySOLGYRROTCILCP-UHFFFAOYSA-N
XLogP1.96
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[(2S)-3-cyclopropyl-2-[(3-methoxybenzoyl)amino]propanoyl]amino]-2-hydroxy-4-phenylbutanoate
CID 146222503
N-[(2S)-3-cyclopropyl-1-[[3-hydroxy-4-(methoxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
CID 146222534
N-[1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 166784852
N-[(2S)-1-[[1-(cyclohexen-1-yl)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3-methoxybenzamide
CID 146244506
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate
CID 146222506
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
N-[(1R,2S)-2-cyclopropyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]carbamoyl]cyclopropyl]-3-methoxybenzamide
CID 147612074
N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-methoxy-N-methylsulfonylanilino)benzamide
CID 10461757
2-amino-N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methylbutanamide;hydrochloride
CID 146222527
3-methoxy-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 58700151

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide (CID 146222498) is N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(CC2CC2)C(=O)NC(Cc2ccccc2)C(O)C(=O)NC2CC2)c1.
What is the InChIKey of N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?
The InChIKey is SOLGYRROTCILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-35-21-9-5-8-19(16-21)25(32)30-23(15-18-10-11-18)26(33)29-22(14-17-6-3-2-4-7-17)24(31)27(34)28-20-12-13-20/h2-9,16,18,20,22-24,31H,10-15H2,1H3,(H,28,34)(H,29,33)(H,30,32).
What are the key properties of N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide?
N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide has a molecular weight of 479.58 g/mol, XLogP of 1.96, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 146222498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).