7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride

C20H27ClN2O2 — CID 119725132

IUPAC7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2.ClH/c21-15-7-2-1-6-10-20(23)22-16-17-11-13-19(14-12-17)24-18-8-4-3-5-9-18;/h3-5,8-9,11-14H,1-2,6-7,10,15-16,21H2,(H,22,23);1H
InChIKeyPFTUCQWUILTHKL-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.43
Rot. Bonds10

About 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride

7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride (PubChem CID 119725132) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
PubChem CID119725132
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2.ClH/c21-15-7-2-1-6-10-20(23)22-16-17-11-13-19(14-12-17)24-18-8-4-3-5-9-18;/h3-5,8-9,11-14H,1-2,6-7,10,15-16,21H2,(H,22,23);1H
InChIKeyPFTUCQWUILTHKL-UHFFFAOYSA-N
XLogP4.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
CID 119322066
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride (CID 119725132) is 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride?
The InChIKey is PFTUCQWUILTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c21-15-7-2-1-6-10-20(23)22-16-17-11-13-19(14-12-17)24-18-8-4-3-5-9-18;/h3-5,8-9,11-14H,1-2,6-7,10,15-16,21H2,(H,22,23);1H.
What are the key properties of 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride?
7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119725132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).