3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea

C18H30N2O — CID 108900811

IUPAC3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
SMILESCc1cccc(CCNC(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C18H30N2O/c1-14(2)12-20(13-15(3)4)18(21)19-10-9-17-8-6-7-16(5)11-17/h6-8,11,14-15H,9-10,12-13H2,1-5H3,(H,19,21)
InChIKeyRUAHNFOGEWIKDH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.86
Rot. Bonds7

About 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea

3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea (PubChem CID 108900811) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
PubChem CID108900811
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
SMILESCc1cccc(CCNC(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C18H30N2O/c1-14(2)12-20(13-15(3)4)18(21)19-10-9-17-8-6-7-16(5)11-17/h6-8,11,14-15H,9-10,12-13H2,1-5H3,(H,19,21)
InChIKeyRUAHNFOGEWIKDH-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(3-chlorophenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108901489
3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851250
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110838222
2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
CID 79264465
N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
CID 60610481
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea (CID 108900811) is 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea is Cc1cccc(CCNC(=O)N(CC(C)C)CC(C)C)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea?
The InChIKey is RUAHNFOGEWIKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)12-20(13-15(3)4)18(21)19-10-9-17-8-6-7-16(5)11-17/h6-8,11,14-15H,9-10,12-13H2,1-5H3,(H,19,21).
What are the key properties of 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea?
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea has a molecular weight of 290.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 108900811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).