4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide

C17H29N3O — CID 116693705

IUPAC4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
SMILESCCC(C)N(CC)CCC(NC)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-5-14(3)20(6-2)13-12-17(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)
InChIKeyKOPNBKBZTIGLNB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.10
Rot. Bonds9

About 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide

4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide (PubChem CID 116693705) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide.

Molecular Properties

Compound Name4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
PubChem CID116693705
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
SMILESCCC(C)N(CC)CCC(NC)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-5-14(3)20(6-2)13-12-17(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)
InChIKeyKOPNBKBZTIGLNB-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
3-[ethyl(2-methylbutyl)amino]-2-(methylamino)-2-phenylpropanamide
CID 79482186
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
CID 116694539
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
CID 116694816
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide?
The IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide (CID 116693705) is 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide.
What is the SMILES notation for 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide?
The canonical SMILES for 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide is CCC(C)N(CC)CCC(NC)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide?
The InChIKey is KOPNBKBZTIGLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-14(3)20(6-2)13-12-17(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 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide?
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide is sourced from PubChem (CID 116693705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).