1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea

C15H30N2O3 — CID 109491442

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CC(C)O)C1CCCO1
InChIInChI=1S/C15H30N2O3/c1-5-12(13-7-6-8-20-13)17-14(19)16-10-15(3,4)9-11(2)18/h11-13,18H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyBEAGPRGRGHBHMH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.04
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea (PubChem CID 109491442) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
PubChem CID109491442
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CC(C)O)C1CCCO1
InChIInChI=1S/C15H30N2O3/c1-5-12(13-7-6-8-20-13)17-14(19)16-10-15(3,4)9-11(2)18/h11-13,18H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyBEAGPRGRGHBHMH-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 99830495
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
4,4-dimethyl-2-(methylamino)-N-[1-(oxolan-2-yl)propyl]pentanamide
CID 167850623
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97244266
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111479340
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
CID 124865148
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896543
N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
CID 115896542

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea (CID 109491442) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea is CCC(NC(=O)NCC(C)(C)CC(C)O)C1CCCO1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea?
The InChIKey is BEAGPRGRGHBHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-12(13-7-6-8-20-13)17-14(19)16-10-15(3,4)9-11(2)18/h11-13,18H,5-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea?
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea has a molecular weight of 286.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea is sourced from PubChem (CID 109491442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).