1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea

C21H26N2O — CID 100744634

IUPAC1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
SMILESCc1ccccc1[C@H](NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)23-21(24)22-18-13-6-3-7-14-18/h2,4-5,8-12,15,18,20H,3,6-7,13-14H2,1H3,(H2,22,23,24)/t20-/m1/s1
InChIKeyIXYPDDDIDCWEPO-HXUWFJFHSA-N
MW322.45 g/mol
LogP4.72
Rot. Bonds4

About 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea

1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea (PubChem CID 100744634) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
PubChem CID100744634
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
SMILESCc1ccccc1[C@H](NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)23-21(24)22-18-13-6-3-7-14-18/h2,4-5,8-12,15,18,20H,3,6-7,13-14H2,1H3,(H2,22,23,24)/t20-/m1/s1
InChIKeyIXYPDDDIDCWEPO-HXUWFJFHSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea (CID 100744634) is 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea is Cc1ccccc1[C@H](NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea?
The InChIKey is IXYPDDDIDCWEPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)23-21(24)22-18-13-6-3-7-14-18/h2,4-5,8-12,15,18,20H,3,6-7,13-14H2,1H3,(H2,22,23,24)/t20-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea?
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea has a molecular weight of 322.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea is sourced from PubChem (CID 100744634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).