2-amino-2-(2-phenylethyl)heptanamide

C15H24N2O — CID 18682968

IUPAC2-amino-2-(2-phenylethyl)heptanamide
SMILESCCCCCC(N)(CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H24N2O/c1-2-3-7-11-15(17,14(16)18)12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12,17H2,1H3,(H2,16,18)
InChIKeyGYUWGAFBAHTUST-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.38
Rot. Bonds8

About 2-amino-2-(2-phenylethyl)heptanamide

2-amino-2-(2-phenylethyl)heptanamide (PubChem CID 18682968) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-2-(2-phenylethyl)heptanamide.

Molecular Properties

Compound Name2-amino-2-(2-phenylethyl)heptanamide
PubChem CID18682968
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-2-(2-phenylethyl)heptanamide
SMILESCCCCCC(N)(CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H24N2O/c1-2-3-7-11-15(17,14(16)18)12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12,17H2,1H3,(H2,16,18)
InChIKeyGYUWGAFBAHTUST-UHFFFAOYSA-N
XLogP2.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.38
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

2-amino-2-benzylhexanamide
CID 174812463
carbonic acid;pentylbenzene
CID 157127683
acetamide;propylbenzene
CID 142238516
2-dodecyl-2-(3-phenylpropyl)propanedioic acid
CID 139782878
2-bromo-2-phenylheptanamide
CID 57012582
butylbenzene;carbonic acid
CID 158278492
3-methyl-1-phenylheptan-3-amine
CID 121493813
3,3-dimethyltetradecylbenzene
CID 141108755
2-ethynyl-2-(2-phenylethyl)hexanoic acid
CID 118039929
5-methyl-5-(2-phenylethyl)nonadecan-3-one
CID 137378779
3-benzyl-3-decyltridecan-2-one
CID 21201320
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-phenylethyl)heptanamide?
The IUPAC name of 2-amino-2-(2-phenylethyl)heptanamide (CID 18682968) is 2-amino-2-(2-phenylethyl)heptanamide.
What is the SMILES notation for 2-amino-2-(2-phenylethyl)heptanamide?
The canonical SMILES for 2-amino-2-(2-phenylethyl)heptanamide is CCCCCC(N)(CCc1ccccc1)C(N)=O.
What is the InChIKey of 2-amino-2-(2-phenylethyl)heptanamide?
The InChIKey is GYUWGAFBAHTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-7-11-15(17,14(16)18)12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12,17H2,1H3,(H2,16,18).
What are the key properties of 2-amino-2-(2-phenylethyl)heptanamide?
2-amino-2-(2-phenylethyl)heptanamide has a molecular weight of 248.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-phenylethyl)heptanamide is sourced from PubChem (CID 18682968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).