1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea

C11H24N2O — CID 115629659

IUPAC1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
SMILESCC(C)NC(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)13-10(14)12-7-9(3)11(4,5)6/h8-9H,7H2,1-6H3,(H2,12,13,14)
InChIKeyMWOUSAACQAQTKW-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.38
Rot. Bonds3

About 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea

1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea (PubChem CID 115629659) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
PubChem CID115629659
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
SMILESCC(C)NC(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)13-10(14)12-7-9(3)11(4,5)6/h8-9H,7H2,1-6H3,(H2,12,13,14)
InChIKeyMWOUSAACQAQTKW-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
1-(2,2,2-trifluoroethyl)-3-(2,3,3-trimethylbutyl)urea
CID 115629640
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
(2S)-4-methylsulfanyl-2-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143519
(2R)-5-amino-5-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)pentanoic acid
CID 107831064
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098
4-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143236
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
CID 83143719
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea?
The IUPAC name of 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea (CID 115629659) is 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea is CC(C)NC(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea?
The InChIKey is MWOUSAACQAQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)13-10(14)12-7-9(3)11(4,5)6/h8-9H,7H2,1-6H3,(H2,12,13,14).
What are the key properties of 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea?
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea is sourced from PubChem (CID 115629659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).