3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide

C18H22N4O2 — CID 37315817

IUPAC3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-22(16-9-3-2-4-10-16)12-6-11-20-17(23)14-7-5-8-15(13-14)21-18(19)24/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,23)(H3,19,21,24)
InChIKeyRZHYIKGHXSBJJH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds7

About 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide

3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 37315817) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID37315817
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-22(16-9-3-2-4-10-16)12-6-11-20-17(23)14-7-5-8-15(13-14)21-18(19)24/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,23)(H3,19,21,24)
InChIKeyRZHYIKGHXSBJJH-UHFFFAOYSA-N
XLogP2.43
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
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

3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
3-(carbamoylamino)-N-(2,2-diphenylethyl)benzamide
CID 26313248
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide (CID 37315817) is 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1cccc(NC(N)=O)c1)c1ccccc1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is RZHYIKGHXSBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(16-9-3-2-4-10-16)12-6-11-20-17(23)14-7-5-8-15(13-14)21-18(19)24/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,23)(H3,19,21,24).
What are the key properties of 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide?
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 37315817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).