1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide

C22H27N3O2 — CID 122569767

IUPAC1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(C(NC(=O)NC2(C(N)=O)CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-10-12-18(13-11-16)19(17-8-4-2-5-9-17)24-21(27)25-22(20(23)26)14-6-3-7-15-22/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3,(H2,23,26)(H2,24,25,27)
InChIKeyNDINLHCOXNQOKP-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.57
Rot. Bonds5

About 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide

1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 122569767) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
PubChem CID122569767
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(C(NC(=O)NC2(C(N)=O)CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-10-12-18(13-11-16)19(17-8-4-2-5-9-17)24-21(27)25-22(20(23)26)14-6-3-7-15-22/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3,(H2,23,26)(H2,24,25,27)
InChIKeyNDINLHCOXNQOKP-UHFFFAOYSA-N
XLogP3.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97145403
1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
CID 119735685
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 122571672
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
1-[[(1S)-1-thiophen-3-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
CID 125443030
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
CID 119060351
1-amino-N-benzhydrylcyclopentane-1-carboxamide
CID 97030389

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide (CID 122569767) is 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide is Cc1ccc(C(NC(=O)NC2(C(N)=O)CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is NDINLHCOXNQOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-10-12-18(13-11-16)19(17-8-4-2-5-9-17)24-21(27)25-22(20(23)26)14-6-3-7-15-22/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3,(H2,23,26)(H2,24,25,27).
What are the key properties of 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide?
1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 122569767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).