N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

C21H25NO4 — CID 87027506

IUPACN-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)ccc1OC
InChIInChI=1S/C21H25NO4/c1-4-26-20-13-15(9-12-19(20)25-3)21(23)22(17-10-11-17)14-16-7-5-6-8-18(16)24-2/h5-9,12-13,17H,4,10-11,14H2,1-3H3
InChIKeyHFYYMWJAHPRLTK-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.91
Rot. Bonds8

About N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 87027506) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID87027506
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)ccc1OC
InChIInChI=1S/C21H25NO4/c1-4-26-20-13-15(9-12-19(20)25-3)21(23)22(17-10-11-17)14-16-7-5-6-8-18(16)24-2/h5-9,12-13,17H,4,10-11,14H2,1-3H3
InChIKeyHFYYMWJAHPRLTK-UHFFFAOYSA-N
XLogP3.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119180543
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
N-cyclopentyl-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide
CID 77091779

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 87027506) is N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide is CCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)ccc1OC.
What is the InChIKey of N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is HFYYMWJAHPRLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-26-20-13-15(9-12-19(20)25-3)21(23)22(17-10-11-17)14-16-7-5-6-8-18(16)24-2/h5-9,12-13,17H,4,10-11,14H2,1-3H3.
What are the key properties of N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 87027506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).