1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea

C17H26N2O3 — CID 111431601

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC2(O)CCCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-13-11-14(22-2)7-8-15(13)19-16(20)18-12-17(21)9-5-3-4-6-10-17/h7-8,11,21H,3-6,9-10,12H2,1-2H3,(H2,18,19,20)
InChIKeyLGTXXYUNLPWDQC-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.21
Rot. Bonds4

About 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea

1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 111431601) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
PubChem CID111431601
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC2(O)CCCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-13-11-14(22-2)7-8-15(13)19-16(20)18-12-17(21)9-5-3-4-6-10-17/h7-8,11,21H,3-6,9-10,12H2,1-2H3,(H2,18,19,20)
InChIKeyLGTXXYUNLPWDQC-UHFFFAOYSA-N
XLogP3.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103612
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea (CID 111431601) is 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)NCC2(O)CCCCCC2)c(C)c1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is LGTXXYUNLPWDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-11-14(22-2)7-8-15(13)19-16(20)18-12-17(21)9-5-3-4-6-10-17/h7-8,11,21H,3-6,9-10,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea?
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 306.41 g/mol, XLogP of 3.21, 4 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-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 111431601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).