2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide

C14H21N3O4 — CID 120591327

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)CC(CN)OC
InChIInChI=1S/C14H21N3O4/c1-16-14(19)11-6-9(20-2)4-5-12(11)17-13(18)7-10(8-15)21-3/h4-6,10H,7-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWZQFOBIMEPMPEW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.36
Rot. Bonds7

About 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide

2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide (PubChem CID 120591327) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide
PubChem CID120591327
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)CC(CN)OC
InChIInChI=1S/C14H21N3O4/c1-16-14(19)11-6-9(20-2)4-5-12(11)17-13(18)7-10(8-15)21-3/h4-6,10H,7-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWZQFOBIMEPMPEW-UHFFFAOYSA-N
XLogP0.36
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide (CID 120591327) is 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide is CNC(=O)c1cc(OC)ccc1NC(=O)CC(CN)OC.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide?
The InChIKey is WZQFOBIMEPMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-16-14(19)11-6-9(20-2)4-5-12(11)17-13(18)7-10(8-15)21-3/h4-6,10H,7-8,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide?
2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide has a molecular weight of 295.34 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 120591327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).