N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide

C18H28N2O — CID 61021464

IUPACN-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C18H28N2O/c1-4-14(3)20-18(21)8-9-19-17-11-16(12-17)15-7-5-6-13(2)10-15/h5-7,10,14,16-17,19H,4,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyUIBOHFOESPWRCP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.14
Rot. Bonds7

About N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide

N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide (PubChem CID 61021464) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
PubChem CID61021464
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C18H28N2O/c1-4-14(3)20-18(21)8-9-19-17-11-16(12-17)15-7-5-6-13(2)10-15/h5-7,10,14,16-17,19H,4,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyUIBOHFOESPWRCP-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide (CID 61021464) is N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide is CCC(C)NC(=O)CCNC1CC(c2cccc(C)c2)C1.
What is the InChIKey of N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
The InChIKey is UIBOHFOESPWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-14(3)20-18(21)8-9-19-17-11-16(12-17)15-7-5-6-13(2)10-15/h5-7,10,14,16-17,19H,4,8-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide?
N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide is sourced from PubChem (CID 61021464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).