1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea

C15H21ClN2O2 — CID 17182016

IUPAC1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
SMILESCCC(NC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-2-14(11-5-7-12(16)8-6-11)18-15(19)17-10-13-4-3-9-20-13/h5-8,13-14H,2-4,9-10H2,1H3,(H2,17,18,19)
InChIKeyMDCHWCMEUJZWTN-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.27
Rot. Bonds5

About 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea

1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 17182016) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID17182016
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
SMILESCCC(NC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-2-14(11-5-7-12(16)8-6-11)18-15(19)17-10-13-4-3-9-20-13/h5-8,13-14H,2-4,9-10H2,1H3,(H2,17,18,19)
InChIKeyMDCHWCMEUJZWTN-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8676585
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
1-(oxolan-2-ylmethyl)-3-(1-phenylpropyl)thiourea
CID 19675335
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 99950366
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 124852739
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026796
(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 7321134

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea (CID 17182016) is 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea is CCC(NC(=O)NCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is MDCHWCMEUJZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-14(11-5-7-12(16)8-6-11)18-15(19)17-10-13-4-3-9-20-13/h5-8,13-14H,2-4,9-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 296.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 17182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).