3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide

C14H21N3O3 — CID 119286252

IUPAC3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)CN)c1
InChIInChI=1S/C14H21N3O3/c1-2-20-8-4-7-16-14(19)11-5-3-6-12(9-11)17-13(18)10-15/h3,5-6,9H,2,4,7-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeySBGBYWMEYAJNEM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.74
Rot. Bonds8

About 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide

3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 119286252) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
PubChem CID119286252
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)CN)c1
InChIInChI=1S/C14H21N3O3/c1-2-20-8-4-7-16-14(19)11-5-3-6-12(9-11)17-13(18)10-15/h3,5-6,9H,2,4,7-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeySBGBYWMEYAJNEM-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide (CID 119286252) is 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cccc(NC(=O)CN)c1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is SBGBYWMEYAJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-8-4-7-16-14(19)11-5-3-6-12(9-11)17-13(18)10-15/h3,5-6,9H,2,4,7-8,10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide?
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 119286252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).