1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea

C17H28N2O2 — CID 133217631

IUPAC1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NC(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C17H28N2O2/c1-7-8-18-17(20)19-13(5)15-10-14(11(2)3)16(21-6)9-12(15)4/h9-11,13H,7-8H2,1-6H3,(H2,18,19,20)
InChIKeyMYSFXALWUSWUCF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.90
Rot. Bonds6

About 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea

1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea (PubChem CID 133217631) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea
PubChem CID133217631
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NC(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C17H28N2O2/c1-7-8-18-17(20)19-13(5)15-10-14(11(2)3)16(21-6)9-12(15)4/h9-11,13H,7-8H2,1-6H3,(H2,18,19,20)
InChIKeyMYSFXALWUSWUCF-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
4-[ethylsulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 125086247
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217502
2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217376
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 133186578
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133186528
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 125082584
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea?
The IUPAC name of 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea (CID 133217631) is 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea is CCCNC(=O)NC(C)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea?
The InChIKey is MYSFXALWUSWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-8-18-17(20)19-13(5)15-10-14(11(2)3)16(21-6)9-12(15)4/h9-11,13H,7-8H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea?
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea has a molecular weight of 292.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea is sourced from PubChem (CID 133217631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).