2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide

C18H26N2O2 — CID 166252359

IUPAC2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide
SMILESCCC(NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)NC
InChIInChI=1S/C18H26N2O2/c1-3-16(18(22)19-2)20-17(21)6-4-5-13-7-9-14(10-8-13)15-11-12-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAMBMXXRYGJOFAV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.53
Rot. Bonds8

About 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide

2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide (PubChem CID 166252359) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide
PubChem CID166252359
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide
SMILESCCC(NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)NC
InChIInChI=1S/C18H26N2O2/c1-3-16(18(22)19-2)20-17(21)6-4-5-13-7-9-14(10-8-13)15-11-12-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAMBMXXRYGJOFAV-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate
CID 166283041
4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
CID 166253146
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
1,7-bis[4-(4-propanoylcyclohexyl)phenyl]heptan-4-one
CID 70445056
1,9-bis[4-(4-propanoylcyclohexyl)phenyl]nonan-5-one
CID 70444310
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
2-[4-(4-ethylphenyl)butanoylamino]-3-hydroxypropanoic acid
CID 82224311
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
methyl 4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 54439992
N-(4-cyclopropylphenyl)heptanamide
CID 155735657
N-hydroxy-6-[4-(1-methylpiperidin-4-yl)phenyl]hexanamide
CID 142170348

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide?
The IUPAC name of 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide (CID 166252359) is 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide.
What is the SMILES notation for 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide?
The canonical SMILES for 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide is CCC(NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)NC.
What is the InChIKey of 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide?
The InChIKey is AMBMXXRYGJOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-16(18(22)19-2)20-17(21)6-4-5-13-7-9-14(10-8-13)15-11-12-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide?
2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide is sourced from PubChem (CID 166252359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).