1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea

C17H27N3O — CID 61341492

IUPAC1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-13(18-2)15-8-10-16(11-9-15)20-17(21)19-12-14-6-4-3-5-7-14/h8-11,13-14,18H,3-7,12H2,1-2H3,(H2,19,20,21)
InChIKeyBIWOTTAHBKXIRL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea

1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61341492) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61341492
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-13(18-2)15-8-10-16(11-9-15)20-17(21)19-12-14-6-4-3-5-7-14/h8-11,13-14,18H,3-7,12H2,1-2H3,(H2,19,20,21)
InChIKeyBIWOTTAHBKXIRL-UHFFFAOYSA-N
XLogP3.67
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea (CID 61341492) is 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1ccc(NC(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is BIWOTTAHBKXIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(18-2)15-8-10-16(11-9-15)20-17(21)19-12-14-6-4-3-5-7-14/h8-11,13-14,18H,3-7,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 289.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61341492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).