1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea

C15H25N3O2 — CID 115309853

IUPAC1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)9-15(3,10-16)18-14(19)17-12-7-5-6-8-13(12)20-4/h5-8,11H,9-10,16H2,1-4H3,(H2,17,18,19)
InChIKeyVFHCVVSAFVGPBR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.58
Rot. Bonds6

About 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea

1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 115309853) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID115309853
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)9-15(3,10-16)18-14(19)17-12-7-5-6-8-13(12)20-4/h5-8,11H,9-10,16H2,1-4H3,(H2,17,18,19)
InChIKeyVFHCVVSAFVGPBR-UHFFFAOYSA-N
XLogP2.58
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
CID 119598761
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 112516204
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate
CID 75437857
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea (CID 115309853) is 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is VFHCVVSAFVGPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)9-15(3,10-16)18-14(19)17-12-7-5-6-8-13(12)20-4/h5-8,11H,9-10,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea?
1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 279.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 115309853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).