7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride

C18H31ClN2O — CID 119689313

IUPAC7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
SMILESCC(C)CC(NC(=O)CCCCCCN)c1ccccc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-15(2)14-17(16-10-6-5-7-11-16)20-18(21)12-8-3-4-9-13-19;/h5-7,10-11,15,17H,3-4,8-9,12-14,19H2,1-2H3,(H,20,21);1H
InChIKeyKRLCEBQREZQQRF-UHFFFAOYSA-N
MW326.91 g/mol
LogP4.22
Rot. Bonds10

About 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride

7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride (PubChem CID 119689313) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
PubChem CID119689313
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
SMILESCC(C)CC(NC(=O)CCCCCCN)c1ccccc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-15(2)14-17(16-10-6-5-7-11-16)20-18(21)12-8-3-4-9-13-19;/h5-7,10-11,15,17H,3-4,8-9,12-14,19H2,1-2H3,(H,20,21);1H
InChIKeyKRLCEBQREZQQRF-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 54.22
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

5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
3-(9-aminononanoylamino)-3-phenylpropanoic acid;methoxymethane
CID 160625754
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
CID 119320311
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride (CID 119689313) is 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride is CC(C)CC(NC(=O)CCCCCCN)c1ccccc1.Cl.
What is the InChIKey of 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride?
The InChIKey is KRLCEBQREZQQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-15(2)14-17(16-10-6-5-7-11-16)20-18(21)12-8-3-4-9-13-19;/h5-7,10-11,15,17H,3-4,8-9,12-14,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride?
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride is sourced from PubChem (CID 119689313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).