3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide

C23H29N3O3 — CID 86981473

IUPAC3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3/c1-16-7-9-19(10-8-16)21(26-17(2)27)14-22(28)25-15-18-11-12-24-23(13-18)29-20-5-3-4-6-20/h7-13,20-21H,3-6,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyPNPBYLODKBXBTF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.60
Rot. Bonds8

About 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide (PubChem CID 86981473) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide
PubChem CID86981473
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3/c1-16-7-9-19(10-8-16)21(26-17(2)27)14-22(28)25-15-18-11-12-24-23(13-18)29-20-5-3-4-6-20/h7-13,20-21H,3-6,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyPNPBYLODKBXBTF-UHFFFAOYSA-N
XLogP3.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide
CID 55810237
(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 95301519
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate
CID 51082173
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194
3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
CID 112835458
3-acetamido-3-(4-bromophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 112817440

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide (CID 86981473) is 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is PNPBYLODKBXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-7-9-19(10-8-16)21(26-17(2)27)14-22(28)25-15-18-11-12-24-23(13-18)29-20-5-3-4-6-20/h7-13,20-21H,3-6,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 86981473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).