2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide

C16H27N3O — CID 116693625

IUPAC2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
SMILESCNC(CCN(C)CC(C)C)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)12-19(4)11-10-16(18-3,15(17)20)14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3,(H2,17,20)
InChIKeyWJCRDPLXBBZSIH-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.56
Rot. Bonds8

About 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide

2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide (PubChem CID 116693625) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
PubChem CID116693625
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
SMILESCNC(CCN(C)CC(C)C)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)12-19(4)11-10-16(18-3,15(17)20)14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3,(H2,17,20)
InChIKeyWJCRDPLXBBZSIH-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693639
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide
CID 79482186
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957265
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
CID 116694816
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide?
The IUPAC name of 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide (CID 116693625) is 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide.
What is the SMILES notation for 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide?
The canonical SMILES for 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide is CNC(CCN(C)CC(C)C)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide?
The InChIKey is WJCRDPLXBBZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)12-19(4)11-10-16(18-3,15(17)20)14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3,(H2,17,20).
What are the key properties of 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide?
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide is sourced from PubChem (CID 116693625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).