4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C17H26N4O2 — CID 119881976

IUPAC4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C17H26N4O2/c1-13(18)16(22)20-12-14-4-6-15(7-5-14)17(23)19-8-11-21-9-2-3-10-21/h4-7,13H,2-3,8-12,18H2,1H3,(H,19,23)(H,20,22)
InChIKeySVQHLXZNEKHSCI-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.48
Rot. Bonds7

About 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 119881976) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID119881976
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C17H26N4O2/c1-13(18)16(22)20-12-14-4-6-15(7-5-14)17(23)19-8-11-21-9-2-3-10-21/h4-7,13H,2-3,8-12,18H2,1H3,(H,19,23)(H,20,22)
InChIKeySVQHLXZNEKHSCI-UHFFFAOYSA-N
XLogP0.48
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881981
4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881963
4-[[[2-amino-4-[4-(2-methoxyethyl)piperazin-1-yl]butanoyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 167761876
4-[[(2-amino-2-methylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881951
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120596728
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885629
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119882002
N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166180288

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 119881976) is 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is CC(N)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is SVQHLXZNEKHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(18)16(22)20-12-14-4-6-15(7-5-14)17(23)19-8-11-21-9-2-3-10-21/h4-7,13H,2-3,8-12,18H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 119881976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).