3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea

C14H22N2O — CID 71994481

IUPAC3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
SMILESCCNC(=O)N(C)C(CC)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-13(16(3)14(17)15-5-2)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyFIIKGDPDZMGWGQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds5

About 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea

3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea (PubChem CID 71994481) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
PubChem CID71994481
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
SMILESCCNC(=O)N(C)C(CC)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-13(16(3)14(17)15-5-2)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyFIIKGDPDZMGWGQ-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[methyl-[1-(4-methylphenyl)butan-2-yl]carbamoyl]amino]propanoic acid
CID 122017579
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
CID 97219103
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
CID 119186656
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62877970
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea (CID 71994481) is 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea is CCNC(=O)N(C)C(CC)Cc1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea?
The InChIKey is FIIKGDPDZMGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-13(16(3)14(17)15-5-2)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,15,17).
What are the key properties of 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea?
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea has a molecular weight of 234.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea is sourced from PubChem (CID 71994481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).