7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride

C17H27ClN2O — CID 119698485

IUPAC7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O.ClH/c18-13-7-2-1-6-10-16(20)19-17(15-11-12-15)14-8-4-3-5-9-14;/h3-5,8-9,15,17H,1-2,6-7,10-13,18H2,(H,19,20);1H
InChIKeyRDVNOUSTOQWNNP-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.58
Rot. Bonds9

About 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride

7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride (PubChem CID 119698485) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
PubChem CID119698485
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O.ClH/c18-13-7-2-1-6-10-16(20)19-17(15-11-12-15)14-8-4-3-5-9-14;/h3-5,8-9,15,17H,1-2,6-7,10-13,18H2,(H,19,20);1H
InChIKeyRDVNOUSTOQWNNP-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.58
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

7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
CID 119796894
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
CID 51187247
3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46539927
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride (CID 119698485) is 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride?
The InChIKey is RDVNOUSTOQWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c18-13-7-2-1-6-10-16(20)19-17(15-11-12-15)14-8-4-3-5-9-14;/h3-5,8-9,15,17H,1-2,6-7,10-13,18H2,(H,19,20);1H.
What are the key properties of 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride?
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119698485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).