N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide

C21H22N2O3 — CID 39348998

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-17-6-7-18(20(12-17)26-2)21(24)23(16-4-5-16)13-14-3-8-19-15(11-14)9-10-22-19/h3,6-12,16,22H,4-5,13H2,1-2H3
InChIKeyHYPZMYBDZOECSN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.99
Rot. Bonds6

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide (PubChem CID 39348998) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
PubChem CID39348998
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-17-6-7-18(20(12-17)26-2)21(24)23(16-4-5-16)13-14-3-8-19-15(11-14)9-10-22-19/h3,6-12,16,22H,4-5,13H2,1-2H3
InChIKeyHYPZMYBDZOECSN-UHFFFAOYSA-N
XLogP3.99
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
CID 119069823
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
CID 42472057
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 18201195
N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810000
N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 46990657
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide (CID 39348998) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide?
The InChIKey is HYPZMYBDZOECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-17-6-7-18(20(12-17)26-2)21(24)23(16-4-5-16)13-14-3-8-19-15(11-14)9-10-22-19/h3,6-12,16,22H,4-5,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 39348998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).