1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea

C17H27N3O2 — CID 110936506

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
SMILESCN(CCNC(=O)NCC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-20(15-8-4-2-5-9-15)13-12-18-16(21)19-14-17(22)10-6-3-7-11-17/h2,4-5,8-9,22H,3,6-7,10-14H2,1H3,(H2,18,19,21)
InChIKeyBUFPXKFFZUHUHH-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.12
Rot. Bonds6

About 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea (PubChem CID 110936506) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
PubChem CID110936506
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
SMILESCN(CCNC(=O)NCC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-20(15-8-4-2-5-9-15)13-12-18-16(21)19-14-17(22)10-6-3-7-11-17/h2,4-5,8-9,22H,3,6-7,10-14H2,1H3,(H2,18,19,21)
InChIKeyBUFPXKFFZUHUHH-UHFFFAOYSA-N
XLogP2.12
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
CID 60710937
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea (CID 110936506) is 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea is CN(CCNC(=O)NCC1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea?
The InChIKey is BUFPXKFFZUHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(15-8-4-2-5-9-15)13-12-18-16(21)19-14-17(22)10-6-3-7-11-17/h2,4-5,8-9,22H,3,6-7,10-14H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea is sourced from PubChem (CID 110936506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).