3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide

C36H41N3O — CID 11455389

IUPAC3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1
InChIInChI=1S/C36H41N3O/c40-36(21-16-29-9-4-5-10-29)39(28-33-11-6-23-37-26-33)27-32-14-19-35(20-15-32)34-17-12-31(13-18-34)25-38-24-22-30-7-2-1-3-8-30/h1-3,6-8,11-15,17-20,23,26,29,38H,4-5,9-10,16,21-22,24-25,27-28H2
InChIKeyLPVCCGYJWPKLBT-UHFFFAOYSA-N
MW531.74 g/mol
LogP7.58
Rot. Bonds13

About 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide

3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 11455389) has the molecular formula C36H41N3O and a molecular weight of 531.74 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID11455389
Molecular FormulaC36H41N3O
Molecular Weight531.74 g/mol
Exact Mass531.32
IUPAC Name3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1
InChIInChI=1S/C36H41N3O/c40-36(21-16-29-9-4-5-10-29)39(28-33-11-6-23-37-26-33)27-32-14-19-35(20-15-32)34-17-12-31(13-18-34)25-38-24-22-30-7-2-1-3-8-30/h1-3,6-8,11-15,17-20,23,26,29,38H,4-5,9-10,16,21-22,24-25,27-28H2
InChIKeyLPVCCGYJWPKLBT-UHFFFAOYSA-N
XLogP7.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.74
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-piperidin-3-ylpropanamide;2,2,2-trifluoroacetic acid
CID 44536132
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-cyclopentyloxy-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558468
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
N-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-4-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 139943938
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
2-cyclohexyl-N-[4-[4-[[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]acetamide
CID 139943806
N-[[4-[4-[(cycloheptylamino)methyl]phenyl]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 139943894

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide (CID 11455389) is 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1.
What is the InChIKey of 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LPVCCGYJWPKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O/c40-36(21-16-29-9-4-5-10-29)39(28-33-11-6-23-37-26-33)27-32-14-19-35(20-15-32)34-17-12-31(13-18-34)25-38-24-22-30-7-2-1-3-8-30/h1-3,6-8,11-15,17-20,23,26,29,38H,4-5,9-10,16,21-22,24-25,27-28H2.
What are the key properties of 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 531.74 g/mol, XLogP of 7.58, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 11455389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).