1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea

C20H26N2O2 — CID 60561914

IUPAC1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
SMILESCC(NC(=O)NOCc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-15(17-10-12-18(13-11-17)20(2,3)4)21-19(23)22-24-14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H2,21,22,23)
InChIKeyBLMUGXKIQLPPRM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.48
Rot. Bonds5

About 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea

1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea (PubChem CID 60561914) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
PubChem CID60561914
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
SMILESCC(NC(=O)NOCc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-15(17-10-12-18(13-11-17)20(2,3)4)21-19(23)22-24-14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H2,21,22,23)
InChIKeyBLMUGXKIQLPPRM-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
1-methyl-3-phenylmethoxyurea
CID 14227198
3-benzylsulfanyl-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 132653746
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
benzyl N-[(1S)-1-bis(4-tert-butylphenoxy)phosphorylethyl]carbamate
CID 53323959
4-amino-N-phenylmethoxypentanamide
CID 64974762
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea?
The IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea (CID 60561914) is 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea is CC(NC(=O)NOCc1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea?
The InChIKey is BLMUGXKIQLPPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(17-10-12-18(13-11-17)20(2,3)4)21-19(23)22-24-14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea?
1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea has a molecular weight of 326.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea is sourced from PubChem (CID 60561914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).