N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide

C21H26N2O3 — CID 55540383

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
SMILESCOc1ccc(C(NC(=O)CNc2cc(C)ccc2OC)C2CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-14-4-11-19(26-3)18(12-14)22-13-20(24)23-21(15-5-6-15)16-7-9-17(25-2)10-8-16/h4,7-12,15,21-22H,5-6,13H2,1-3H3,(H,23,24)
InChIKeyFMRADEUQKMLDNA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.69
Rot. Bonds8

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide (PubChem CID 55540383) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
PubChem CID55540383
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
SMILESCOc1ccc(C(NC(=O)CNc2cc(C)ccc2OC)C2CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-14-4-11-19(26-3)18(12-14)22-13-20(24)23-21(15-5-6-15)16-7-9-17(25-2)10-8-16/h4,7-12,15,21-22H,5-6,13H2,1-3H3,(H,23,24)
InChIKeyFMRADEUQKMLDNA-UHFFFAOYSA-N
XLogP3.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-(2-bromo-4-methylphenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804460
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126
2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 55437408
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 134042612
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990447

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide (CID 55540383) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide is COc1ccc(C(NC(=O)CNc2cc(C)ccc2OC)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide?
The InChIKey is FMRADEUQKMLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-4-11-19(26-3)18(12-14)22-13-20(24)23-21(15-5-6-15)16-7-9-17(25-2)10-8-16/h4,7-12,15,21-22H,5-6,13H2,1-3H3,(H,23,24).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide is sourced from PubChem (CID 55540383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).