4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide

C18H21N3O3 — CID 52793055

IUPAC4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
SMILESCOCCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-24-13-5-12-19-18(23)21-16-10-8-14(9-11-16)17(22)20-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyVQFNWWIIMBGFKH-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.10
Rot. Bonds7

About 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide

4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide (PubChem CID 52793055) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
PubChem CID52793055
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
SMILESCOCCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-24-13-5-12-19-18(23)21-16-10-8-14(9-11-16)17(22)20-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyVQFNWWIIMBGFKH-UHFFFAOYSA-N
XLogP3.10
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 17204993
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide?
The IUPAC name of 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide (CID 52793055) is 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide.
What is the SMILES notation for 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide?
The canonical SMILES for 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide is COCCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide?
The InChIKey is VQFNWWIIMBGFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-13-5-12-19-18(23)21-16-10-8-14(9-11-16)17(22)20-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide?
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide is sourced from PubChem (CID 52793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).