1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea

C17H26N2O3 — CID 111425507

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H26N2O3/c1-22-15-8-6-7-14(11-15)12-18-16(20)19-13-17(21)9-4-2-3-5-10-17/h6-8,11,21H,2-5,9-10,12-13H2,1H3,(H2,18,19,20)
InChIKeyAXGOJJBOWRMRKX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.58
Rot. Bonds5

About 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea

1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 111425507) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID111425507
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H26N2O3/c1-22-15-8-6-7-14(11-15)12-18-16(20)19-13-17(21)9-4-2-3-5-10-17/h6-8,11,21H,2-5,9-10,12-13H2,1H3,(H2,18,19,20)
InChIKeyAXGOJJBOWRMRKX-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111433093
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea (CID 111425507) is 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCC2(O)CCCCCC2)c1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is AXGOJJBOWRMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-22-15-8-6-7-14(11-15)12-18-16(20)19-13-17(21)9-4-2-3-5-10-17/h6-8,11,21H,2-5,9-10,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 111425507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).