N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide

C22H24N2O4 — CID 39313525

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24(17-5-6-17)13-14-4-7-18-15(10-14)8-9-23-18/h4,7-12,17,23H,5-6,13H2,1-3H3
InChIKeyJWWCMHMXRRBOJH-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.00
Rot. Bonds7

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide (PubChem CID 39313525) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
PubChem CID39313525
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24(17-5-6-17)13-14-4-7-18-15(10-14)8-9-23-18/h4,7-12,17,23H,5-6,13H2,1-3H3
InChIKeyJWWCMHMXRRBOJH-UHFFFAOYSA-N
XLogP4.00
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
CID 119069823
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497
N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 46990657
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 98146821
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 39349715
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide (CID 39313525) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide?
The InChIKey is JWWCMHMXRRBOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24(17-5-6-17)13-14-4-7-18-15(10-14)8-9-23-18/h4,7-12,17,23H,5-6,13H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 380.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 39313525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).