1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea

C16H26N2O2 — CID 58607437

IUPAC1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
SMILESCCCC(CCC)NC(=O)Nc1ccc(C)cc1OC
InChIInChI=1S/C16H26N2O2/c1-5-7-13(8-6-2)17-16(19)18-14-10-9-12(3)11-15(14)20-4/h9-11,13H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyCFNXTJHBPBREKH-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.09
Rot. Bonds7

About 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea

1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea (PubChem CID 58607437) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
PubChem CID58607437
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
SMILESCCCC(CCC)NC(=O)Nc1ccc(C)cc1OC
InChIInChI=1S/C16H26N2O2/c1-5-7-13(8-6-2)17-16(19)18-14-10-9-12(3)11-15(14)20-4/h9-11,13H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyCFNXTJHBPBREKH-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
(2R)-2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbutanamide
CID 7079973
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
2-(hexan-3-ylcarbamoylamino)-5-methoxybenzoic acid
CID 115412229
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
CID 60545361

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea (CID 58607437) is 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea is CCCC(CCC)NC(=O)Nc1ccc(C)cc1OC.
What is the InChIKey of 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea?
The InChIKey is CFNXTJHBPBREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-7-13(8-6-2)17-16(19)18-14-10-9-12(3)11-15(14)20-4/h9-11,13H,5-8H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea?
1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea has a molecular weight of 278.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 58607437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).