2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide

C16H27N3O — CID 116693835

IUPAC2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
SMILESCC(C)CCN(C)CCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)9-11-19(3)12-10-16(18,15(17)20)14-7-5-4-6-8-14/h4-8,13H,9-12,18H2,1-3H3,(H2,17,20)
InChIKeyYYGWOPUXVYHEPZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.69
Rot. Bonds8

About 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide

2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide (PubChem CID 116693835) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
PubChem CID116693835
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
SMILESCC(C)CCN(C)CCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)9-11-19(3)12-10-16(18,15(17)20)14-7-5-4-6-8-14/h4-8,13H,9-12,18H2,1-3H3,(H2,17,20)
InChIKeyYYGWOPUXVYHEPZ-UHFFFAOYSA-N
XLogP1.69
TPSA72.35 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
CID 116693896
2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
CID 116693782
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide?
The IUPAC name of 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide (CID 116693835) is 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide is CC(C)CCN(C)CCC(N)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide?
The InChIKey is YYGWOPUXVYHEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)9-11-19(3)12-10-16(18,15(17)20)14-7-5-4-6-8-14/h4-8,13H,9-12,18H2,1-3H3,(H2,17,20).
What are the key properties of 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide?
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide is sourced from PubChem (CID 116693835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).