4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide

C19H29N3O2 — CID 86992768

IUPAC4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-22(2)18(23)16-12-10-15(11-13-16)14-20-19(24)21-17-8-6-4-3-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H2,20,21,24)
InChIKeyMMSUMHSTOUJGMB-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.30
Rot. Bonds4

About 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide

4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide (PubChem CID 86992768) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
PubChem CID86992768
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-22(2)18(23)16-12-10-15(11-13-16)14-20-19(24)21-17-8-6-4-3-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H2,20,21,24)
InChIKeyMMSUMHSTOUJGMB-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
CID 110775362
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide (CID 86992768) is 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide?
The InChIKey is MMSUMHSTOUJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-22(2)18(23)16-12-10-15(11-13-16)14-20-19(24)21-17-8-6-4-3-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H2,20,21,24).
What are the key properties of 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide?
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 86992768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).