4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide

C18H27N3O3 — CID 138037588

IUPAC4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N(C)C2CCCCCC2)c(OC)c1
InChIInChI=1S/C18H27N3O3/c1-19-17(22)13-10-11-15(16(12-13)24-3)20-18(23)21(2)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyDTVFFIDFWRMMRN-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.24
Rot. Bonds4

About 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide

4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide (PubChem CID 138037588) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide
PubChem CID138037588
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N(C)C2CCCCCC2)c(OC)c1
InChIInChI=1S/C18H27N3O3/c1-19-17(22)13-10-11-15(16(12-13)24-3)20-18(23)21(2)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyDTVFFIDFWRMMRN-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448

Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide (CID 138037588) is 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)N(C)C2CCCCCC2)c(OC)c1.
What is the InChIKey of 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide?
The InChIKey is DTVFFIDFWRMMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-17(22)13-10-11-15(16(12-13)24-3)20-18(23)21(2)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide?
4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)carbamoyl]amino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 138037588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).