N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide

C17H27N3O — CID 43325545

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc2c(c1)CCN2)C(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)20(13(3)4)10-9-19-17(21)15-5-6-16-14(11-15)7-8-18-16/h5-6,11-13,18H,7-10H2,1-4H3,(H,19,21)
InChIKeyLAMYIKVCIUDKJO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.50
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43325545) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43325545
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc2c(c1)CCN2)C(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)20(13(3)4)10-9-19-17(21)15-5-6-16-14(11-15)7-8-18-16/h5-6,11-13,18H,7-10H2,1-4H3,(H,19,21)
InChIKeyLAMYIKVCIUDKJO-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-[2-(dimethylamino)-4-methylpentyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61276033
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide (CID 43325545) is N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide is CC(C)N(CCNC(=O)c1ccc2c(c1)CCN2)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is LAMYIKVCIUDKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)20(13(3)4)10-9-19-17(21)15-5-6-16-14(11-15)7-8-18-16/h5-6,11-13,18H,7-10H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43325545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).