7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride

C19H27ClN2O — CID 119732863

IUPAC7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O.ClH/c20-13-6-2-1-3-9-19(22)21-14-12-16-10-11-17-7-4-5-8-18(17)15-16;/h4-5,7-8,10-11,15H,1-3,6,9,12-14,20H2,(H,21,22);1H
InChIKeyYGHPQFZSSOATIC-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.83
Rot. Bonds9

About 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride

7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride (PubChem CID 119732863) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
PubChem CID119732863
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O.ClH/c20-13-6-2-1-3-9-19(22)21-14-12-16-10-11-17-7-4-5-8-18(17)15-16;/h4-5,7-8,10-11,15H,1-3,6,9,12-14,20H2,(H,21,22);1H
InChIKeyYGHPQFZSSOATIC-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.83
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-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
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N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride (CID 119732863) is 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCCc1ccc2ccccc2c1.
What is the InChIKey of 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride?
The InChIKey is YGHPQFZSSOATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c20-13-6-2-1-3-9-19(22)21-14-12-16-10-11-17-7-4-5-8-18(17)15-16;/h4-5,7-8,10-11,15H,1-3,6,9,12-14,20H2,(H,21,22);1H.
What are the key properties of 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride?
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride is sourced from PubChem (CID 119732863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).