N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide

C18H27N3O2 — CID 166182609

IUPACN-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
SMILESCC1CCC(CNC(=O)NCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-14-7-9-16(10-8-14)12-20-18(23)21-13-17(22)19-11-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQJXQHYPQZOIJTB-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.43
Rot. Bonds6

About N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide

N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide (PubChem CID 166182609) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
PubChem CID166182609
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
SMILESCC1CCC(CNC(=O)NCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-14-7-9-16(10-8-14)12-20-18(23)21-13-17(22)19-11-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQJXQHYPQZOIJTB-UHFFFAOYSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111867274
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
1-(azetidin-3-ylmethyl)-3-benzylurea
CID 117235420
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
N-benzyl-2-[(2,6-dimethylcyclohexyl)amino]acetamide
CID 60972200

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide (CID 166182609) is N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide is CC1CCC(CNC(=O)NCC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide?
The InChIKey is QJXQHYPQZOIJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-7-9-16(10-8-14)12-20-18(23)21-13-17(22)19-11-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide?
N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 166182609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).