N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide

C27H30N2O3 — CID 86880225

IUPACN-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C27H30N2O3/c30-23-16-15-19-9-7-8-14-22(19)25(23)26(20-10-3-1-4-11-20)29-24(31)17-18-28-27(32)21-12-5-2-6-13-21/h1,3-4,7-11,14-16,21,26,30H,2,5-6,12-13,17-18H2,(H,28,32)(H,29,31)
InChIKeyGRYWJOAHCALSOD-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.84
Rot. Bonds7

About N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 86880225) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID86880225
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C27H30N2O3/c30-23-16-15-19-9-7-8-14-22(19)25(23)26(20-10-3-1-4-11-20)29-24(31)17-18-28-27(32)21-12-5-2-6-13-21/h1,3-4,7-11,14-16,21,26,30H,2,5-6,12-13,17-18H2,(H,28,32)(H,29,31)
InChIKeyGRYWJOAHCALSOD-UHFFFAOYSA-N
XLogP4.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide 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-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 134061219
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 166227047
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]acetamide
CID 44556782
N'-(2-cyanoethyl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-N'-phenylbutanediamide
CID 56505801
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide
CID 95620334
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide (CID 86880225) is N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is GRYWJOAHCALSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-23-16-15-19-9-7-8-14-22(19)25(23)26(20-10-3-1-4-11-20)29-24(31)17-18-28-27(32)21-12-5-2-6-13-21/h1,3-4,7-11,14-16,21,26,30H,2,5-6,12-13,17-18H2,(H,28,32)(H,29,31).
What are the key properties of N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-hydroxynaphthalen-1-yl)-phenylmethyl]amino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 86880225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).