1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea

C13H17N3O — CID 7615931

IUPAC1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
SMILESCC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-9(2)15-13(17)16-12-8-14-11-7-5-4-6-10(11)12/h4-9,14H,3H2,1-2H3,(H2,15,16,17)/t9-/m1/s1
InChIKeyNRXLHVQUSUTKDT-SECBINFHSA-N
MW231.30 g/mol
LogP3.09
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea

1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea (PubChem CID 7615931) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
PubChem CID7615931
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
SMILESCC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-9(2)15-13(17)16-12-8-14-11-7-5-4-6-10(11)12/h4-9,14H,3H2,1-2H3,(H2,15,16,17)/t9-/m1/s1
InChIKeyNRXLHVQUSUTKDT-SECBINFHSA-N
XLogP3.09
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-butan-2-yl-3-(2-sulfanylphenyl)urea
CID 108886298
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1H-indol-3-ylcarbamic acid
CID 66672709
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea (CID 7615931) is 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea is CC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea?
The InChIKey is NRXLHVQUSUTKDT-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9(2)15-13(17)16-12-8-14-11-7-5-4-6-10(11)12/h4-9,14H,3H2,1-2H3,(H2,15,16,17)/t9-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea?
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea has a molecular weight of 231.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).