N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide

C12H17N3O3 — CID 38039799

IUPACN-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCONC(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-8(2)13-12(17)14-10-6-4-5-9(7-10)11(16)15-18-3/h4-8H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyRUACWIALSWTHAB-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds4

About N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide

N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 38039799) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID38039799
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCONC(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-8(2)13-12(17)14-10-6-4-5-9(7-10)11(16)15-18-3/h4-8H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyRUACWIALSWTHAB-UHFFFAOYSA-N
XLogP1.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
CID 46429431
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide (CID 38039799) is N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide is CONC(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is RUACWIALSWTHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)13-12(17)14-10-6-4-5-9(7-10)11(16)15-18-3/h4-8H,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide?
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 251.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 38039799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).