N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide

C17H24N2O2 — CID 51082846

IUPACN-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-12(2)19-17(21)15-9-7-13(8-10-15)11-18-16(20)14-5-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOMXUVPDKSJZIFY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.63
Rot. Bonds6

About N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide

N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide (PubChem CID 51082846) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
PubChem CID51082846
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-12(2)19-17(21)15-9-7-13(8-10-15)11-18-16(20)14-5-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOMXUVPDKSJZIFY-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
1-[[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9274115
N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119497751
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
4-[[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 129377106
4-[[[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 98365689
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide (CID 51082846) is N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide is CCC(C)NC(=O)c1ccc(CNC(=O)C2CCC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide?
The InChIKey is OMXUVPDKSJZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-12(2)19-17(21)15-9-7-13(8-10-15)11-18-16(20)14-5-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide?
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide is sourced from PubChem (CID 51082846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).