1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea

C15H21ClN2O2 — CID 134006670

IUPAC1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-11(14-4-3-9-20-14)17-15(19)18(2)10-12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyLINYUCFNGSBHRX-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.05
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea

1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 134006670) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID134006670
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-11(14-4-3-9-20-14)17-15(19)18(2)10-12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyLINYUCFNGSBHRX-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 95643433
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94021442
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94021444
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94120382
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
(2R)-2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010517
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955
1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675893

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea (CID 134006670) is 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)N(C)Cc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is LINYUCFNGSBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(14-4-3-9-20-14)17-15(19)18(2)10-12-5-7-13(16)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea?
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 296.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 134006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).