4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide

C20H30N4O3 — CID 55979927

IUPAC4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2ccc(CNC(N)=O)cc2)CCCCC1
InChIInChI=1S/C20H30N4O3/c1-3-24(4-2)18(26)20(12-6-5-7-13-20)23-17(25)16-10-8-15(9-11-16)14-22-19(21)27/h8-11H,3-7,12-14H2,1-2H3,(H,23,25)(H3,21,22,27)
InChIKeyCHEYRPVOGWHGNB-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.16
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide

4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide (PubChem CID 55979927) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
PubChem CID55979927
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2ccc(CNC(N)=O)cc2)CCCCC1
InChIInChI=1S/C20H30N4O3/c1-3-24(4-2)18(26)20(12-6-5-7-13-20)23-17(25)16-10-8-15(9-11-16)14-22-19(21)27/h8-11H,3-7,12-14H2,1-2H3,(H,23,25)(H3,21,22,27)
InChIKeyCHEYRPVOGWHGNB-UHFFFAOYSA-N
XLogP2.16
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]cyclohexane-1-carboxamide
CID 55980445
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
CID 55982692
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
CID 55983584
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55982184
1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
CID 39948049

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide (CID 55979927) is 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide is CCN(CC)C(=O)C1(NC(=O)c2ccc(CNC(N)=O)cc2)CCCCC1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is CHEYRPVOGWHGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-24(4-2)18(26)20(12-6-5-7-13-20)23-17(25)16-10-8-15(9-11-16)14-22-19(21)27/h8-11H,3-7,12-14H2,1-2H3,(H,23,25)(H3,21,22,27).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide?
4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 55979927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).