N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

C27H35N3O4 — CID 55893275

IUPACN-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)C(C)C)cc1
InChIInChI=1S/C27H35N3O4/c1-4-34-23-14-12-21(13-15-23)26(32)30-24(18(2)3)27(33)28-17-19-8-7-11-22(16-19)29-25(31)20-9-5-6-10-20/h7-8,11-16,18,20,24H,4-6,9-10,17H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyNRCVXULNHQXKEB-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.28
Rot. Bonds10

About N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (PubChem CID 55893275) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
PubChem CID55893275
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)C(C)C)cc1
InChIInChI=1S/C27H35N3O4/c1-4-34-23-14-12-21(13-15-23)26(32)30-24(18(2)3)27(33)28-17-19-8-7-11-22(16-19)29-25(31)20-9-5-6-10-20/h7-8,11-16,18,20,24H,4-6,9-10,17H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyNRCVXULNHQXKEB-UHFFFAOYSA-N
XLogP4.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide 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

N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55573025
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 76866423
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 40742445
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
4-ethoxy-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2668522
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (CID 55893275) is N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)C(C)C)cc1.
What is the InChIKey of N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The InChIKey is NRCVXULNHQXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-4-34-23-14-12-21(13-15-23)26(32)30-24(18(2)3)27(33)28-17-19-8-7-11-22(16-19)29-25(31)20-9-5-6-10-20/h7-8,11-16,18,20,24H,4-6,9-10,17H2,1-3H3,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide has a molecular weight of 465.59 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 55893275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).