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

C17H28N2O — CID 143294345

IUPAC1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea
SMILESCCCC(CCC)N(CC)C(=O)Nc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-5-10-15(11-6-2)19(7-3)17(20)18-16-13-9-8-12-14(16)4/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyFWXDWHSZQLNMPP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.82
Rot. Bonds7

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

1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea (PubChem CID 143294345) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea
PubChem CID143294345
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea
SMILESCCCC(CCC)N(CC)C(=O)Nc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-5-10-15(11-6-2)19(7-3)17(20)18-16-13-9-8-12-14(16)4/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyFWXDWHSZQLNMPP-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
CID 56694544
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
[1-(2-methylanilino)-1-oxopropan-2-yl]-propylazanium chloride
CID 53262280
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
(2S,7S)-7-ethyl-N-(2-methylphenyl)-2-pentylundecanamide
CID 92692901

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea?
The IUPAC name of 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea (CID 143294345) is 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea?
The canonical SMILES for 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea is CCCC(CCC)N(CC)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea?
The InChIKey is FWXDWHSZQLNMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-10-15(11-6-2)19(7-3)17(20)18-16-13-9-8-12-14(16)4/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,18,20).
What are the key properties of 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea?
1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea has a molecular weight of 276.42 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-heptan-4-yl-3-(2-methylphenyl)urea is sourced from PubChem (CID 143294345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).