3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride

C20H27ClN2O — CID 119341740

IUPAC3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NC(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O.ClH/c21-16-15-20(23)22-19(18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17;/h1-6,9-10,12-13,19H,7-8,11,14-16,21H2,(H,22,23);1H
InChIKeyRTTROMUXLNMWSF-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.03
Rot. Bonds9

About 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride

3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride (PubChem CID 119341740) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride
PubChem CID119341740
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NC(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O.ClH/c21-16-15-20(23)22-19(18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17;/h1-6,9-10,12-13,19H,7-8,11,14-16,21H2,(H,22,23);1H
InChIKeyRTTROMUXLNMWSF-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(1,4-diphenylbutyl)-3-ethoxypropanamide
CID 56502280
3-[5-[4-(aminomethyl)phenyl]pentanoylamino]-3-phenylpropanoic acid
CID 19757308
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
CID 119320311
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride (CID 119341740) is 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride is Cl.NCCC(=O)NC(CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride?
The InChIKey is RTTROMUXLNMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c21-16-15-20(23)22-19(18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17;/h1-6,9-10,12-13,19H,7-8,11,14-16,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride?
3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride is sourced from PubChem (CID 119341740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).