1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

C21H24N2O4 — CID 178070560

IUPAC1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-23(13-14-4-11-18(26-2)19(12-14)27-3)21(25)16-7-5-15(6-8-16)20(24)22-17-9-10-17/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,22,24)
InChIKeyMNMPPPWRHORJAY-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.87
Rot. Bonds7

About 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 178070560) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID178070560
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-23(13-14-4-11-18(26-2)19(12-14)27-3)21(25)16-7-5-15(6-8-16)20(24)22-17-9-10-17/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,22,24)
InChIKeyMNMPPPWRHORJAY-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
9H-fluoren-9-ylmethyl N-[[4-[(3,4-dimethoxyphenyl)methyl-methylcarbamoyl]phenyl]methyl]carbamate
CID 59704031
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 30797400

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 178070560) is 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is COc1ccc(CN(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)cc1OC.
What is the InChIKey of 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is MNMPPPWRHORJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23(13-14-4-11-18(26-2)19(12-14)27-3)21(25)16-7-5-15(6-8-16)20(24)22-17-9-10-17/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,22,24).
What are the key properties of 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 178070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).