1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea

C15H23N3O2 — CID 64928641

IUPAC1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2CCCCC2N)c1
InChIInChI=1S/C15H23N3O2/c1-20-13-7-4-6-12(9-13)18-15(19)17-10-11-5-2-3-8-14(11)16/h4,6-7,9,11,14H,2-3,5,8,10,16H2,1H3,(H2,17,18,19)
InChIKeyNPYACGTVIJASID-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.33
Rot. Bonds4

About 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea

1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea (PubChem CID 64928641) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
PubChem CID64928641
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2CCCCC2N)c1
InChIInChI=1S/C15H23N3O2/c1-20-13-7-4-6-12(9-13)18-15(19)17-10-11-5-2-3-8-14(11)16/h4,6-7,9,11,14H,2-3,5,8,10,16H2,1H3,(H2,17,18,19)
InChIKeyNPYACGTVIJASID-UHFFFAOYSA-N
XLogP2.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
1-(3-methoxyphenyl)-3-[(1R,2R)-2-(sulfanylmethoxymethyl)cyclohexyl]urea
CID 59041101
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580585
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 113235126
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea (CID 64928641) is 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCC2CCCCC2N)c1.
What is the InChIKey of 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is NPYACGTVIJASID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-7-4-6-12(9-13)18-15(19)17-10-11-5-2-3-8-14(11)16/h4,6-7,9,11,14H,2-3,5,8,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea?
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 64928641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).