2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide

C14H21N3O3 — CID 60836653

IUPAC2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CC(C)N
InChIInChI=1S/C14H21N3O3/c1-10(15)9-13(18)17-12-6-4-3-5-11(12)14(19)16-7-8-20-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQXODMZRKPVLILT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.74
Rot. Bonds7

About 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide

2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 60836653) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
PubChem CID60836653
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CC(C)N
InChIInChI=1S/C14H21N3O3/c1-10(15)9-13(18)17-12-6-4-3-5-11(12)14(19)16-7-8-20-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQXODMZRKPVLILT-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide (CID 60836653) is 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)CC(C)N.
What is the InChIKey of 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is QXODMZRKPVLILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(15)9-13(18)17-12-6-4-3-5-11(12)14(19)16-7-8-20-2/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide?
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 60836653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).