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

C16H26N2O2 — CID 66174479

IUPAC3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-16(3,20)11-18-15(19)14(10-17)13-7-5-4-6-8-13/h4-8,12,14,20H,9-11,17H2,1-3H3,(H,18,19)
InChIKeyXVMQUXZAZUPPMP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.64
Rot. Bonds7

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

3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide (PubChem CID 66174479) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
PubChem CID66174479
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-16(3,20)11-18-15(19)14(10-17)13-7-5-4-6-8-13/h4-8,12,14,20H,9-11,17H2,1-3H3,(H,18,19)
InChIKeyXVMQUXZAZUPPMP-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
3-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylpropanamide
CID 103812535
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 80526634
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide (CID 66174479) is 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide is CC(C)CC(C)(O)CNC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide?
The InChIKey is XVMQUXZAZUPPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-16(3,20)11-18-15(19)14(10-17)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 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide?
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide is sourced from PubChem (CID 66174479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).