1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea

C17H24N2O3 — CID 97220209

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
SMILESO=C(NCC1(CO)CC1)N[C@@H]1CCC[C@@H]1Oc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-12-17(9-10-17)11-18-16(21)19-14-7-4-8-15(14)22-13-5-2-1-3-6-13/h1-3,5-6,14-15,20H,4,7-12H2,(H2,18,19,21)/t14-,15+/m1/s1
InChIKeyJQEYOEOISIXZIQ-CABCVRRESA-N
MW304.39 g/mol
LogP2.06
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea (PubChem CID 97220209) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
PubChem CID97220209
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
SMILESO=C(NCC1(CO)CC1)N[C@@H]1CCC[C@@H]1Oc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-12-17(9-10-17)11-18-16(21)19-14-7-4-8-15(14)22-13-5-2-1-3-6-13/h1-3,5-6,14-15,20H,4,7-12H2,(H2,18,19,21)/t14-,15+/m1/s1
InChIKeyJQEYOEOISIXZIQ-CABCVRRESA-N
XLogP2.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea with MolForge

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Related Compounds

1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97077943
N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
CID 97082762
N-[4-oxo-4-[(2-phenoxycyclopentyl)amino]butyl]cyclopropanecarboxamide
CID 71931515
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
CID 95624806
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea
CID 124840703
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
N-[4-oxo-4-[[(1S,2S)-2-phenoxycyclohexyl]amino]butyl]cyclopropanecarboxamide
CID 95625915
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 96531775
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 111618744

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea (CID 97220209) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea is O=C(NCC1(CO)CC1)N[C@@H]1CCC[C@@H]1Oc1ccccc1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea?
The InChIKey is JQEYOEOISIXZIQ-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2O3/c20-12-17(9-10-17)11-18-16(21)19-14-7-4-8-15(14)22-13-5-2-1-3-6-13/h1-3,5-6,14-15,20H,4,7-12H2,(H2,18,19,21)/t14-,15+/m1/s1.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea is sourced from PubChem (CID 97220209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).