2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide

C21H29N3O — CID 119877877

IUPAC2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
SMILESCC(NC(C)(C)CNC(=O)C(N)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-16(18-12-8-5-9-13-18)24-21(2,3)15-23-20(25)19(22)14-17-10-6-4-7-11-17/h4-13,16,19,24H,14-15,22H2,1-3H3,(H,23,25)
InChIKeyIICQQJCCTSQNCZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.80
Rot. Bonds8

About 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide

2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide (PubChem CID 119877877) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
PubChem CID119877877
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
SMILESCC(NC(C)(C)CNC(=O)C(N)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-16(18-12-8-5-9-13-18)24-21(2,3)15-23-20(25)19(22)14-17-10-6-4-7-11-17/h4-13,16,19,24H,14-15,22H2,1-3H3,(H,23,25)
InChIKeyIICQQJCCTSQNCZ-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
CID 119877886
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide (CID 119877877) is 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide is CC(NC(C)(C)CNC(=O)C(N)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide?
The InChIKey is IICQQJCCTSQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(18-12-8-5-9-13-18)24-21(2,3)15-23-20(25)19(22)14-17-10-6-4-7-11-17/h4-13,16,19,24H,14-15,22H2,1-3H3,(H,23,25).
What are the key properties of 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide?
2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119877877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).