4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide

C16H25N3O2 — CID 119712847

IUPAC4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)CC(C)N)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)14-8-6-13(7-9-14)11-18-15(20)10-12(3)17/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyKGSNOZWIDLROTP-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.52
Rot. Bonds7

About 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide

4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide (PubChem CID 119712847) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
PubChem CID119712847
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)CC(C)N)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)14-8-6-13(7-9-14)11-18-15(20)10-12(3)17/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyKGSNOZWIDLROTP-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
N,N-diethyl-4-[[4-(methylamino)butanoylamino]methyl]benzamide;hydrochloride
CID 119712810
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
N,N-diethyl-4-[[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111179369
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 34827481
4-[(3,4-dimethylpentanoylamino)methyl]benzoic acid
CID 119165475
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide (CID 119712847) is 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(CNC(=O)CC(C)N)cc1.
What is the InChIKey of 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide?
The InChIKey is KGSNOZWIDLROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)14-8-6-13(7-9-14)11-18-15(20)10-12(3)17/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide?
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 119712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).