3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide

C15H23N3O2 — CID 119287321

IUPAC3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CCN)c1
InChIInChI=1S/C15H23N3O2/c1-3-11(2)18-15(20)13-6-4-5-12(9-13)10-17-14(19)7-8-16/h4-6,9,11H,3,7-8,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZVTZSOLBUMGKCU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds7

About 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide

3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide (PubChem CID 119287321) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
PubChem CID119287321
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CCN)c1
InChIInChI=1S/C15H23N3O2/c1-3-11(2)18-15(20)13-6-4-5-12(9-13)10-17-14(19)7-8-16/h4-6,9,11H,3,7-8,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZVTZSOLBUMGKCU-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546459
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
CID 55870074
3-[(2-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287338
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719774
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-iodo-3-methylbenzamide
CID 55749335
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 55749266

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide?
The IUPAC name of 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide (CID 119287321) is 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide?
The canonical SMILES for 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1cccc(CNC(=O)CCN)c1.
What is the InChIKey of 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide?
The InChIKey is ZVTZSOLBUMGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(2)18-15(20)13-6-4-5-12(9-13)10-17-14(19)7-8-16/h4-6,9,11H,3,7-8,10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide?
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 119287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).