4-[(3-amino-2-methoxypropanoyl)amino]benzamide

C11H15N3O3 — CID 106111050

IUPAC4-[(3-amino-2-methoxypropanoyl)amino]benzamide
SMILESCOC(CN)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O3/c1-17-9(6-12)11(16)14-8-4-2-7(3-5-8)10(13)15/h2-5,9H,6,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyIOGXZWBTTBMFCH-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.30
Rot. Bonds5

About 4-[(3-amino-2-methoxypropanoyl)amino]benzamide

4-[(3-amino-2-methoxypropanoyl)amino]benzamide (PubChem CID 106111050) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(3-amino-2-methoxypropanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(3-amino-2-methoxypropanoyl)amino]benzamide
PubChem CID106111050
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[(3-amino-2-methoxypropanoyl)amino]benzamide
SMILESCOC(CN)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O3/c1-17-9(6-12)11(16)14-8-4-2-7(3-5-8)10(13)15/h2-5,9H,6,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyIOGXZWBTTBMFCH-UHFFFAOYSA-N
XLogP-0.30
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 106112552
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 106111504
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
4-[(2-bromo-5,5-difluoro-4-methoxypentanoyl)amino]benzamide
CID 150831157
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methoxypropanoyl)amino]benzamide?
The IUPAC name of 4-[(3-amino-2-methoxypropanoyl)amino]benzamide (CID 106111050) is 4-[(3-amino-2-methoxypropanoyl)amino]benzamide.
What is the SMILES notation for 4-[(3-amino-2-methoxypropanoyl)amino]benzamide?
The canonical SMILES for 4-[(3-amino-2-methoxypropanoyl)amino]benzamide is COC(CN)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-amino-2-methoxypropanoyl)amino]benzamide?
The InChIKey is IOGXZWBTTBMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-9(6-12)11(16)14-8-4-2-7(3-5-8)10(13)15/h2-5,9H,6,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 4-[(3-amino-2-methoxypropanoyl)amino]benzamide?
4-[(3-amino-2-methoxypropanoyl)amino]benzamide has a molecular weight of 237.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methoxypropanoyl)amino]benzamide is sourced from PubChem (CID 106111050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).