3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride

C12H18ClN3O2 — CID 119283116

IUPAC3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)CN)c1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-6-14-12(17)9-4-3-5-10(7-9)15-11(16)8-13;/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyRSCVMSAYLRVAOM-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.15
Rot. Bonds5

About 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride

3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride (PubChem CID 119283116) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
PubChem CID119283116
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)CN)c1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-6-14-12(17)9-4-3-5-10(7-9)15-11(16)8-13;/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)(H,15,16);1H
InChIKeyRSCVMSAYLRVAOM-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride (CID 119283116) is 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(NC(=O)CN)c1.Cl.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride?
The InChIKey is RSCVMSAYLRVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-2-6-14-12(17)9-4-3-5-10(7-9)15-11(16)8-13;/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)(H,15,16);1H.
What are the key properties of 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride?
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119283116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).