2-amino-N-decyl-3-phenylpropanamide

C19H32N2O — CID 122423651

IUPAC2-amino-N-decyl-3-phenylpropanamide
SMILESCCCCCCCCCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-12-15-21-19(22)18(20)16-17-13-10-9-11-14-17/h9-11,13-14,18H,2-8,12,15-16,20H2,1H3,(H,21,22)
InChIKeyIBNTYEPEBCIFHD-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.81
Rot. Bonds12

About 2-amino-N-decyl-3-phenylpropanamide

2-amino-N-decyl-3-phenylpropanamide (PubChem CID 122423651) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-amino-N-decyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-decyl-3-phenylpropanamide
PubChem CID122423651
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-amino-N-decyl-3-phenylpropanamide
SMILESCCCCCCCCCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-12-15-21-19(22)18(20)16-17-13-10-9-11-14-17/h9-11,13-14,18H,2-8,12,15-16,20H2,1H3,(H,21,22)
InChIKeyIBNTYEPEBCIFHD-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.81
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

(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-decyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-decyl-3-phenylpropanamide (CID 122423651) is 2-amino-N-decyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-decyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-decyl-3-phenylpropanamide is CCCCCCCCCCNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-decyl-3-phenylpropanamide?
The InChIKey is IBNTYEPEBCIFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-12-15-21-19(22)18(20)16-17-13-10-9-11-14-17/h9-11,13-14,18H,2-8,12,15-16,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-decyl-3-phenylpropanamide?
2-amino-N-decyl-3-phenylpropanamide has a molecular weight of 304.48 g/mol, XLogP of 3.81, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-decyl-3-phenylpropanamide is sourced from PubChem (CID 122423651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).