N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C18H22N2O3 — CID 810000

IUPACN-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccn2C)C2CC2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-19-10-4-5-14(19)12-20(13-6-7-13)18(21)16-9-8-15(22-2)11-17(16)23-3/h4-5,8-11,13H,6-7,12H2,1-3H3
InChIKeyNBQADCPUTYOASL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.85
Rot. Bonds6

About N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide

N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 810000) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID810000
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccn2C)C2CC2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-19-10-4-5-14(19)12-20(13-6-7-13)18(21)16-9-8-15(22-2)11-17(16)23-3/h4-5,8-11,13H,6-7,12H2,1-3H3
InChIKeyNBQADCPUTYOASL-UHFFFAOYSA-N
XLogP2.85
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797
N-cyclopropyl-6-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-2-carboxamide
CID 91624510
2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057219
2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759766
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 1199064
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-prop-2-enylbenzamide
CID 3885748
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
CID 33032868
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 810000) is N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2cccn2C)C2CC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is NBQADCPUTYOASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19-10-4-5-14(19)12-20(13-6-7-13)18(21)16-9-8-15(22-2)11-17(16)23-3/h4-5,8-11,13H,6-7,12H2,1-3H3.
What are the key properties of N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 810000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).