2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide

C16H26N2O2 — CID 66174477

IUPAC2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)10-16(3,20)11-18-15(19)14(17)9-13-7-5-4-6-8-13/h4-8,12,14,20H,9-11,17H2,1-3H3,(H,18,19)
InChIKeyZZGUGUNLTHTOHF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.47
Rot. Bonds7

About 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide

2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide (PubChem CID 66174477) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
PubChem CID66174477
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)10-16(3,20)11-18-15(19)14(17)9-13-7-5-4-6-8-13/h4-8,12,14,20H,9-11,17H2,1-3H3,(H,18,19)
InChIKeyZZGUGUNLTHTOHF-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
CID 119877877
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 77110984
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide (CID 66174477) is 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide is CC(C)CC(C)(O)CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide?
The InChIKey is ZZGUGUNLTHTOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)10-16(3,20)11-18-15(19)14(17)9-13-7-5-4-6-8-13/h4-8,12,14,20H,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide?
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide is sourced from PubChem (CID 66174477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).