4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide

C17H27N3O — CID 116693758

IUPAC4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
SMILESCNC(CCN(C)C(C)C1CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-13(14-9-10-14)20(3)12-11-17(19-2,16(18)21)15-7-5-4-6-8-15/h4-8,13-14,19H,9-12H2,1-3H3,(H2,18,21)
InChIKeyPEEDOKSKEGBELT-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.71
Rot. Bonds8

About 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide

4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide (PubChem CID 116693758) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
PubChem CID116693758
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
SMILESCNC(CCN(C)C(C)C1CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-13(14-9-10-14)20(3)12-11-17(19-2,16(18)21)15-7-5-4-6-8-15/h4-8,13-14,19H,9-12H2,1-3H3,(H2,18,21)
InChIKeyPEEDOKSKEGBELT-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693639
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
CID 103538046
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693729

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide (CID 116693758) is 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide is CNC(CCN(C)C(C)C1CC1)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide?
The InChIKey is PEEDOKSKEGBELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(14-9-10-14)20(3)12-11-17(19-2,16(18)21)15-7-5-4-6-8-15/h4-8,13-14,19H,9-12H2,1-3H3,(H2,18,21).
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide?
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide is sourced from PubChem (CID 116693758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).