N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide

C15H22N2O — CID 109012970

IUPACN-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-12(2)16-15(18)9-11-17-10-8-13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyUCSHARZDCXBEFA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds5

About N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide

N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 109012970) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
PubChem CID109012970
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-12(2)16-15(18)9-11-17-10-8-13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyUCSHARZDCXBEFA-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 59237981
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
3-(2,3-dihydroindol-1-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109034849
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 70862961
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034837
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109034854

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide (CID 109012970) is N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide is CCC(C)NC(=O)CCN1CCc2ccccc21.
What is the InChIKey of N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is UCSHARZDCXBEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12(2)16-15(18)9-11-17-10-8-13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide?
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 109012970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).