N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide

C19H23N3O3 — CID 48775537

IUPACN,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O3/c1-13(2)25-17-11-6-5-10-16(17)21-19(24)20-15-9-7-8-14(12-15)18(23)22(3)4/h5-13H,1-4H3,(H2,20,21,24)
InChIKeyQMVLNHVZHXPJOW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.82
Rot. Bonds5

About N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide

N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide (PubChem CID 48775537) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide
PubChem CID48775537
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O3/c1-13(2)25-17-11-6-5-10-16(17)21-19(24)20-15-9-7-8-14(12-15)18(23)22(3)4/h5-13H,1-4H3,(H2,20,21,24)
InChIKeyQMVLNHVZHXPJOW-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987238
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17232146
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
3-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 30378577

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide (CID 48775537) is N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide is CC(C)Oc1ccccc1NC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide?
The InChIKey is QMVLNHVZHXPJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)25-17-11-6-5-10-16(17)21-19(24)20-15-9-7-8-14(12-15)18(23)22(3)4/h5-13H,1-4H3,(H2,20,21,24).
What are the key properties of N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide?
N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 48775537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).