2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide

C12H17N3O3 — CID 115413099

IUPAC2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H17N3O3/c1-14-11(16)5-6-15-12(17)9-4-3-8(18-2)7-10(9)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNDYRIIJAOFZBAU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide

2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 115413099) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID115413099
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H17N3O3/c1-14-11(16)5-6-15-12(17)9-4-3-8(18-2)7-10(9)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNDYRIIJAOFZBAU-UHFFFAOYSA-N
XLogP0.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 115413099) is 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is NDYRIIJAOFZBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-11(16)5-6-15-12(17)9-4-3-8(18-2)7-10(9)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 115413099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).