1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

C19H30N2O3 — CID 110936623

IUPAC1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-14(15-5-7-16(8-6-15)18(2,3)4)21-17(22)20-13-19(23)9-11-24-12-10-19/h5-8,14,23H,9-13H2,1-4H3,(H2,20,21,22)
InChIKeyYMNFTGQAQYMBNZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.89
Rot. Bonds4

About 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936623) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936623
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-14(15-5-7-16(8-6-15)18(2,3)4)21-17(22)20-13-19(23)9-11-24-12-10-19/h5-8,14,23H,9-13H2,1-4H3,(H2,20,21,22)
InChIKeyYMNFTGQAQYMBNZ-UHFFFAOYSA-N
XLogP2.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936566
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 111486235
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936623) is 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is CC(NC(=O)NCC1(O)CCOCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is YMNFTGQAQYMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(15-5-7-16(8-6-15)18(2,3)4)21-17(22)20-13-19(23)9-11-24-12-10-19/h5-8,14,23H,9-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 334.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).