1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea

C16H26N2O2 — CID 100748636

IUPAC1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
SMILESCCCNC(=O)N[C@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-10-17-16(19)18-15(11-12(2)3)13-6-8-14(20-4)9-7-13/h6-9,12,15H,5,10-11H2,1-4H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyCADSNCOFZPUFOD-OAHLLOKOSA-N
MW278.40 g/mol
LogP3.49
Rot. Bonds7

About 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea

1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea (PubChem CID 100748636) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
PubChem CID100748636
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
SMILESCCCNC(=O)N[C@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-10-17-16(19)18-15(11-12(2)3)13-6-8-14(20-4)9-7-13/h6-9,12,15H,5,10-11H2,1-4H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyCADSNCOFZPUFOD-OAHLLOKOSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
CID 100743522
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea?
The IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea (CID 100748636) is 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea.
What is the SMILES notation for 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea?
The canonical SMILES for 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea is CCCNC(=O)N[C@H](CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea?
The InChIKey is CADSNCOFZPUFOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-10-17-16(19)18-15(11-12(2)3)13-6-8-14(20-4)9-7-13/h6-9,12,15H,5,10-11H2,1-4H3,(H2,17,18,19)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea?
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea has a molecular weight of 278.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea is sourced from PubChem (CID 100748636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).