N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide

C21H25NO3 — CID 24625885

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(c2ccc(C)cc2)C2CC2)ccc1OC
InChIInChI=1S/C21H25NO3/c1-4-25-19-13-17(11-12-18(19)24-3)21(23)22-20(16-9-10-16)15-7-5-14(2)6-8-15/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyJNVDGKQFPJPQFJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.28
Rot. Bonds7

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide

N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 24625885) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
PubChem CID24625885
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(c2ccc(C)cc2)C2CC2)ccc1OC
InChIInChI=1S/C21H25NO3/c1-4-25-19-13-17(11-12-18(19)24-3)21(23)22-20(16-9-10-16)15-7-5-14(2)6-8-15/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyJNVDGKQFPJPQFJ-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethoxy-3-nitrobenzamide
CID 24625895
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24625890
1,3-bis(3-ethoxy-4-methoxyphenyl)-1,3-bis(4-methylphenyl)propan-2-one
CID 141342275
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
CID 45353412

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide (CID 24625885) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NC(c2ccc(C)cc2)C2CC2)ccc1OC.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is JNVDGKQFPJPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-25-19-13-17(11-12-18(19)24-3)21(23)22-20(16-9-10-16)15-7-5-14(2)6-8-15/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H,22,23).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 24625885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).