3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide

C16H27N3O — CID 122080681

IUPAC3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
SMILESCC(C)CC(C)(CN)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-12(2)10-16(3,11-17)19-15(20)9-14(18)13-7-5-4-6-8-13/h4-8,12,14H,9-11,17-18H2,1-3H3,(H,19,20)
InChIKeyLOOHFYQOGJOBHX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.96
Rot. Bonds7

About 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide

3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide (PubChem CID 122080681) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
PubChem CID122080681
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
SMILESCC(C)CC(C)(CN)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-12(2)10-16(3,11-17)19-15(20)9-14(18)13-7-5-4-6-8-13/h4-8,12,14H,9-11,17-18H2,1-3H3,(H,19,20)
InChIKeyLOOHFYQOGJOBHX-UHFFFAOYSA-N
XLogP1.96
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpentanamide
CID 119599953
3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 119598759
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide (CID 122080681) is 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide is CC(C)CC(C)(CN)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
The InChIKey is LOOHFYQOGJOBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)10-16(3,11-17)19-15(20)9-14(18)13-7-5-4-6-8-13/h4-8,12,14H,9-11,17-18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide?
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 122080681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).