(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide

C17H29N3O — CID 134824441

IUPAC(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
SMILESNCCCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c18-12-8-3-1-2-4-9-13-20-17(21)16(19)14-15-10-6-5-7-11-15/h5-7,10-11,16H,1-4,8-9,12-14,18-19H2,(H,20,21)/t16-/m0/s1
InChIKeyJVOIQLDPYZLEKX-INIZCTEOSA-N
MW291.44 g/mol
LogP1.97
Rot. Bonds11

About (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide

(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide (PubChem CID 134824441) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
PubChem CID134824441
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
SMILESNCCCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c18-12-8-3-1-2-4-9-13-20-17(21)16(19)14-15-10-6-5-7-11-15/h5-7,10-11,16H,1-4,8-9,12-14,18-19H2,(H,20,21)/t16-/m0/s1
InChIKeyJVOIQLDPYZLEKX-INIZCTEOSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
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
(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide (CID 134824441) is (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide is NCCCCCCCCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide?
The InChIKey is JVOIQLDPYZLEKX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N3O/c18-12-8-3-1-2-4-9-13-20-17(21)16(19)14-15-10-6-5-7-11-15/h5-7,10-11,16H,1-4,8-9,12-14,18-19H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide?
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 1.97, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide is sourced from PubChem (CID 134824441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).