N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide

C21H26N2O2 — CID 47043715

IUPACN-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-3-16(2)23-21(25)19-11-7-10-18(14-19)15-22-20(24)13-12-17-8-5-4-6-9-17/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUVABMLQENFEBOA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.46
Rot. Bonds8

About N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide

N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide (PubChem CID 47043715) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
PubChem CID47043715
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-3-16(2)23-21(25)19-11-7-10-18(14-19)15-22-20(24)13-12-17-8-5-4-6-9-17/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUVABMLQENFEBOA-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546459
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466164
N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
CID 55870074
N-butan-2-yl-3-[[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]methyl]benzamide
CID 110948288
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-iodo-3-methylbenzamide
CID 55749335
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide (CID 47043715) is N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide?
The InChIKey is UVABMLQENFEBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16(2)23-21(25)19-11-7-10-18(14-19)15-22-20(24)13-12-17-8-5-4-6-9-17/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide?
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.46, 8 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-phenylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 47043715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).