1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane

C22H34N2O2 — CID 145466012

IUPAC1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane
SMILESCC.CC.CC(=O)C(NC(=O)Nc1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C18H22N2O2.2C2H6/c1-12(21)16(18(2,3)4)20-17(22)19-15-11-7-9-13-8-5-6-10-14(13)15;2*1-2/h5-11,16H,1-4H3,(H2,19,20,22);2*1-2H3
InChIKeyBWYLUDOUSVHQSU-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.02
Rot. Bonds3

About 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane

1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane (PubChem CID 145466012) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane
PubChem CID145466012
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane
SMILESCC.CC.CC(=O)C(NC(=O)Nc1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C18H22N2O2.2C2H6/c1-12(21)16(18(2,3)4)20-17(22)19-15-11-7-9-13-8-5-6-10-14(13)15;2*1-2/h5-11,16H,1-4H3,(H2,19,20,22);2*1-2H3
InChIKeyBWYLUDOUSVHQSU-UHFFFAOYSA-N
XLogP6.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
(2S)-2-bromo-3,3-dimethyl-N-[3-(naphthalen-1-ylamino)-3-oxopropyl]butanamide
CID 40803252

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane?
The IUPAC name of 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane (CID 145466012) is 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane.
What is the SMILES notation for 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane?
The canonical SMILES for 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane is CC.CC.CC(=O)C(NC(=O)Nc1cccc2ccccc12)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane?
The InChIKey is BWYLUDOUSVHQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.2C2H6/c1-12(21)16(18(2,3)4)20-17(22)19-15-11-7-9-13-8-5-6-10-14(13)15;2*1-2/h5-11,16H,1-4H3,(H2,19,20,22);2*1-2H3.
What are the key properties of 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane?
1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane has a molecular weight of 358.53 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane is sourced from PubChem (CID 145466012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).