(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide

C16H27N3O — CID 106047732

IUPAC(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
SMILESCC(C)N(C)CCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)19(3)11-7-10-18-16(20)15(17)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,17H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyJTKNVYGQSOWPHH-HNNXBMFYSA-N
MW277.41 g/mol
LogP1.40
Rot. Bonds8

About (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide

(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide (PubChem CID 106047732) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
PubChem CID106047732
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
SMILESCC(C)N(C)CCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)19(3)11-7-10-18-16(20)15(17)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,17H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyJTKNVYGQSOWPHH-HNNXBMFYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
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-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide (CID 106047732) is (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide is CC(C)N(C)CCCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide?
The InChIKey is JTKNVYGQSOWPHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)19(3)11-7-10-18-16(20)15(17)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,17H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide?
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide is sourced from PubChem (CID 106047732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).