N-(1-amino-2-phenylpropan-2-yl)heptanamide

C16H26N2O — CID 105060397

IUPACN-(1-amino-2-phenylpropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-9-12-15(19)18-16(2,13-17)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13,17H2,1-2H3,(H,18,19)
InChIKeyRVNVANGJBJZVGE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds8

About N-(1-amino-2-phenylpropan-2-yl)heptanamide

N-(1-amino-2-phenylpropan-2-yl)heptanamide (PubChem CID 105060397) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)heptanamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)heptanamide
PubChem CID105060397
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-9-12-15(19)18-16(2,13-17)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13,17H2,1-2H3,(H,18,19)
InChIKeyRVNVANGJBJZVGE-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
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-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
N-(1,2-diphenylpropan-2-yl)hexanamide
CID 139775131
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
CID 174358193
N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
N-tritylpentanamide
CID 71163215
2-phenylhexan-2-ylurea
CID 121306915
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)heptanamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)heptanamide (CID 105060397) is N-(1-amino-2-phenylpropan-2-yl)heptanamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)heptanamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)heptanamide is CCCCCCC(=O)NC(C)(CN)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)heptanamide?
The InChIKey is RVNVANGJBJZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-9-12-15(19)18-16(2,13-17)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)heptanamide?
N-(1-amino-2-phenylpropan-2-yl)heptanamide has a molecular weight of 262.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)heptanamide is sourced from PubChem (CID 105060397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).