1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C15H22N2O3 — CID 111573311

IUPAC1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCOCc1ccc(NC(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-20-9-12-3-5-13(6-4-12)17-14(19)16-10-15(11-18)7-8-15/h3-6,18H,2,7-11H2,1H3,(H2,16,17,19)
InChIKeyCXZJNPSBAVVTIZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.12
Rot. Bonds7

About 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111573311) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111573311
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCOCc1ccc(NC(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-20-9-12-3-5-13(6-4-12)17-14(19)16-10-15(11-18)7-8-15/h3-6,18H,2,7-11H2,1H3,(H2,16,17,19)
InChIKeyCXZJNPSBAVVTIZ-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethoxymethyl)phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 111487072
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
1-(4-aminophenyl)-3-[(1-ethylcyclopropyl)methyl]urea
CID 114100683
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
2-amino-N-[4-(ethoxymethyl)phenyl]acetamide
CID 119340719
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111573254
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-[(3S)-3-methylpyrrolidin-1-yl]phenyl]urea
CID 97219987
1-[(4-bromophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618834

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111573311) is 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CCOCc1ccc(NC(=O)NCC2(CO)CC2)cc1.
What is the InChIKey of 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is CXZJNPSBAVVTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-9-12-3-5-13(6-4-12)17-14(19)16-10-15(11-18)7-8-15/h3-6,18H,2,7-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 278.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111573311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).