N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide

C16H23N3O2 — CID 80563634

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-4-9-19(11-15(20)18(2)3)16(21)13-10-17-14-8-6-5-7-12(13)14/h5-8,13,17H,4,9-11H2,1-3H3
InChIKeyHXRXHBSBESIONV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80563634) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80563634
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-4-9-19(11-15(20)18(2)3)16(21)13-10-17-14-8-6-5-7-12(13)14/h5-8,13,17H,4,9-11H2,1-3H3
InChIKeyHXRXHBSBESIONV-UHFFFAOYSA-N
XLogP1.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
CID 80567157
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894026
N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565497
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565387
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564207
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
N-methyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935099
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide (CID 80563634) is N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide is CCCN(CC(=O)N(C)C)C(=O)C1CNc2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is HXRXHBSBESIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-19(11-15(20)18(2)3)16(21)13-10-17-14-8-6-5-7-12(13)14/h5-8,13,17H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80563634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).