3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C13H19N3O3 — CID 43567615

IUPAC3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(C)C)cc1N
InChIInChI=1S/C13H19N3O3/c1-8(2)16-12(17)7-15-13(18)9-4-5-11(19-3)10(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGQXDPCOFNPBXPB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.53
Rot. Bonds5

About 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 43567615) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID43567615
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(C)C)cc1N
InChIInChI=1S/C13H19N3O3/c1-8(2)16-12(17)7-15-13(18)9-4-5-11(19-3)10(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGQXDPCOFNPBXPB-UHFFFAOYSA-N
XLogP0.53
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.53
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

3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 43310728
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 43567615) is 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NC(C)C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is GQXDPCOFNPBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16-12(17)7-15-13(18)9-4-5-11(19-3)10(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 43567615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).