3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide

C21H26N4O — CID 14326601

IUPAC3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccc3[nH]cc(CCN)c3c2)cc1
InChIInChI=1S/C21H26N4O/c1-25(2)18-6-3-15(4-7-18)10-12-23-21(26)16-5-8-20-19(13-16)17(9-11-22)14-24-20/h3-8,13-14,24H,9-12,22H2,1-2H3,(H,23,26)
InChIKeyLAKKDVUKDSHWBY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.71
Rot. Bonds7

About 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide

3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide (PubChem CID 14326601) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
PubChem CID14326601
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccc3[nH]cc(CCN)c3c2)cc1
InChIInChI=1S/C21H26N4O/c1-25(2)18-6-3-15(4-7-18)10-12-23-21(26)16-5-8-20-19(13-16)17(9-11-22)14-24-20/h3-8,13-14,24H,9-12,22H2,1-2H3,(H,23,26)
InChIKeyLAKKDVUKDSHWBY-UHFFFAOYSA-N
XLogP2.71
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide (CID 14326601) is 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide is CN(C)c1ccc(CCNC(=O)c2ccc3[nH]cc(CCN)c3c2)cc1.
What is the InChIKey of 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide?
The InChIKey is LAKKDVUKDSHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-25(2)18-6-3-15(4-7-18)10-12-23-21(26)16-5-8-20-19(13-16)17(9-11-22)14-24-20/h3-8,13-14,24H,9-12,22H2,1-2H3,(H,23,26).
What are the key properties of 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide?
3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 14326601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).