[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea

C16H25N3O2 — CID 103904097

IUPAC[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
SMILESCOC1CCCC(NC(C)c2ccc(NC(N)=O)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-11(18-14-4-3-5-15(10-14)21-2)12-6-8-13(9-7-12)19-16(17)20/h6-9,11,14-15,18H,3-5,10H2,1-2H3,(H3,17,19,20)
InChIKeyDHNPOJGICBBSMJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.79
Rot. Bonds5

About [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea

[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea (PubChem CID 103904097) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
PubChem CID103904097
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
SMILESCOC1CCCC(NC(C)c2ccc(NC(N)=O)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-11(18-14-4-3-5-15(10-14)21-2)12-6-8-13(9-7-12)19-16(17)20/h6-9,11,14-15,18H,3-5,10H2,1-2H3,(H3,17,19,20)
InChIKeyDHNPOJGICBBSMJ-UHFFFAOYSA-N
XLogP2.79
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
CID 79731111
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea
CID 167826541
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
CID 75428567
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea (CID 103904097) is [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea is COC1CCCC(NC(C)c2ccc(NC(N)=O)cc2)C1.
What is the InChIKey of [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea?
The InChIKey is DHNPOJGICBBSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(18-14-4-3-5-15(10-14)21-2)12-6-8-13(9-7-12)19-16(17)20/h6-9,11,14-15,18H,3-5,10H2,1-2H3,(H3,17,19,20).
What are the key properties of [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea?
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea has a molecular weight of 291.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 103904097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).