4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide

C18H21N3O3 — CID 17180581

IUPAC4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-12(2)19-17(22)13-7-9-14(10-8-13)20-18(23)21-15-5-4-6-16(11-15)24-3/h4-12H,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyGUNQXQSRAICCEA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.48
Rot. Bonds5

About 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide

4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide (PubChem CID 17180581) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
PubChem CID17180581
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-12(2)19-17(22)13-7-9-14(10-8-13)20-18(23)21-15-5-4-6-16(11-15)24-3/h4-12H,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyGUNQXQSRAICCEA-UHFFFAOYSA-N
XLogP3.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide (CID 17180581) is 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide is COc1cccc(NC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The InChIKey is GUNQXQSRAICCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)19-17(22)13-7-9-14(10-8-13)20-18(23)21-15-5-4-6-16(11-15)24-3/h4-12H,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide?
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17180581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).