N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C18H24N2O3 — CID 111471182

IUPACN-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CC2)cc1)NCC1CCCC1O
InChIInChI=1S/C18H24N2O3/c21-16-3-1-2-14(16)11-19-17(22)10-12-4-8-15(9-5-12)20-18(23)13-6-7-13/h4-5,8-9,13-14,16,21H,1-3,6-7,10-11H2,(H,19,22)(H,20,23)
InChIKeyPGUINTMSJBWQGD-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds6

About N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 111471182) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID111471182
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CC2)cc1)NCC1CCCC1O
InChIInChI=1S/C18H24N2O3/c21-16-3-1-2-14(16)11-19-17(22)10-12-4-8-15(9-5-12)20-18(23)13-6-7-13/h4-5,8-9,13-14,16,21H,1-3,6-7,10-11H2,(H,19,22)(H,20,23)
InChIKeyPGUINTMSJBWQGD-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide 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-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111471301
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111483440
methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745294
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111470381
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431377
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 111471182) is N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCC1CCCC1O.
What is the InChIKey of N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is PGUINTMSJBWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16-3-1-2-14(16)11-19-17(22)10-12-4-8-15(9-5-12)20-18(23)13-6-7-13/h4-5,8-9,13-14,16,21H,1-3,6-7,10-11H2,(H,19,22)(H,20,23).
What are the key properties of N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 111471182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).