3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide

C20H23N3O2 — CID 86814852

IUPAC3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
SMILESCCOc1cc(C(=O)N(C)C)ccc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C20H23N3O2/c1-4-25-19-12-14(20(24)23(2)3)8-9-18(19)22-13-15-6-5-7-17-16(15)10-11-21-17/h5-12,21-22H,4,13H2,1-3H3
InChIKeyHIKLMILDPNOEFB-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.88
Rot. Bonds6

About 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide

3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide (PubChem CID 86814852) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
PubChem CID86814852
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
SMILESCCOc1cc(C(=O)N(C)C)ccc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C20H23N3O2/c1-4-25-19-12-14(20(24)23(2)3)8-9-18(19)22-13-15-6-5-7-17-16(15)10-11-21-17/h5-12,21-22H,4,13H2,1-3H3
InChIKeyHIKLMILDPNOEFB-UHFFFAOYSA-N
XLogP3.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
CID 167902428
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301
methyl 3-[(1H-indol-4-ylmethylcarbamoylamino)methyl]-4-methylbenzoate
CID 166389016
4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119340157
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide?
The IUPAC name of 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide (CID 86814852) is 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide is CCOc1cc(C(=O)N(C)C)ccc1NCc1cccc2[nH]ccc12.
What is the InChIKey of 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide?
The InChIKey is HIKLMILDPNOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-25-19-12-14(20(24)23(2)3)8-9-18(19)22-13-15-6-5-7-17-16(15)10-11-21-17/h5-12,21-22H,4,13H2,1-3H3.
What are the key properties of 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide?
3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 86814852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).