3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide

C17H29N3O — CID 79482186

IUPAC3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide
SMILESCCC(C)CN(CC)CC(NC)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-5-14(3)12-20(6-2)13-17(19-4,16(18)21)15-10-8-7-9-11-15/h7-11,14,19H,5-6,12-13H2,1-4H3,(H2,18,21)
InChIKeyFUEOUQSTQIHCNB-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds9

About 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide

3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide (PubChem CID 79482186) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide
PubChem CID79482186
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide
SMILESCCC(C)CN(CC)CC(NC)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-5-14(3)12-20(6-2)13-17(19-4,16(18)21)15-10-8-7-9-11-15/h7-11,14,19H,5-6,12-13H2,1-4H3,(H2,18,21)
InChIKeyFUEOUQSTQIHCNB-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
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-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
CID 116694539
6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 79482211
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
CID 79480286
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide (CID 79482186) is 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide is CCC(C)CN(CC)CC(NC)(C(N)=O)c1ccccc1.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide?
The InChIKey is FUEOUQSTQIHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-14(3)12-20(6-2)13-17(19-4,16(18)21)15-10-8-7-9-11-15/h7-11,14,19H,5-6,12-13H2,1-4H3,(H2,18,21).
What are the key properties of 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide?
3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide is sourced from PubChem (CID 79482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).