1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea

C20H26N2O2 — CID 133204286

IUPAC1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-14(15-9-11-16(12-10-15)20(2,3)4)21-19(23)22-17-7-6-8-18(13-17)24-5/h6-14H,1-5H3,(H2,21,22,23)
InChIKeyPMKDOECOOABVGW-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.88
Rot. Bonds4

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

1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea (PubChem CID 133204286) 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-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
PubChem CID133204286
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-14(15-9-11-16(12-10-15)20(2,3)4)21-19(23)22-17-7-6-8-18(13-17)24-5/h6-14H,1-5H3,(H2,21,22,23)
InChIKeyPMKDOECOOABVGW-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 103853156
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-[3-(4-tert-butylbenzoyl)phenyl]-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643661
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
CID 108865137
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea (CID 133204286) is 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea?
The InChIKey is PMKDOECOOABVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(15-9-11-16(12-10-15)20(2,3)4)21-19(23)22-17-7-6-8-18(13-17)24-5/h6-14H,1-5H3,(H2,21,22,23).
What are the key properties of 1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea?
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.88, 4 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-(3-methoxyphenyl)urea is sourced from PubChem (CID 133204286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).