N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide

C18H27N3O2 — CID 56798858

IUPACN-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NCC2CCC(C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-13-6-8-15(9-7-13)11-19-18(23)20-12-16-4-3-5-17(10-16)21-14(2)22/h3-5,10,13,15H,6-9,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyYHZBKCRMTPWVJI-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.27
Rot. Bonds5

About N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide

N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide (PubChem CID 56798858) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
PubChem CID56798858
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NCC2CCC(C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-13-6-8-15(9-7-13)11-19-18(23)20-12-16-4-3-5-17(10-16)21-14(2)22/h3-5,10,13,15H,6-9,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyYHZBKCRMTPWVJI-UHFFFAOYSA-N
XLogP3.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
CID 166237669
N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
CID 166182609
N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 95263169
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
CID 75533226
N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 86994660
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111868124

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide (CID 56798858) is N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)NCC2CCC(C)CC2)c1.
What is the InChIKey of N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide?
The InChIKey is YHZBKCRMTPWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-6-8-15(9-7-13)11-19-18(23)20-12-16-4-3-5-17(10-16)21-14(2)22/h3-5,10,13,15H,6-9,11-12H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide?
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 56798858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).