3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide

C14H21N3O3 — CID 106111461

IUPAC3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(CN)OC)c1
InChIInChI=1S/C14H21N3O3/c1-3-7-16-13(18)10-5-4-6-11(8-10)17-14(19)12(9-15)20-2/h4-6,8,12H,3,7,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUCEMNSVLDWVAGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.74
Rot. Bonds7

About 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide

3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide (PubChem CID 106111461) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
PubChem CID106111461
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(CN)OC)c1
InChIInChI=1S/C14H21N3O3/c1-3-7-16-13(18)10-5-4-6-11(8-10)17-14(19)12(9-15)20-2/h4-6,8,12H,3,7,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUCEMNSVLDWVAGI-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

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Related Compounds

N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128
3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
3-(ethylamino)-N-propylbenzamide
CID 43676038

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide (CID 106111461) is 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(CN)OC)c1.
What is the InChIKey of 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide?
The InChIKey is UCEMNSVLDWVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-7-16-13(18)10-5-4-6-11(8-10)17-14(19)12(9-15)20-2/h4-6,8,12H,3,7,9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide?
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide 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 3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 106111461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).