N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide

C22H28N2O3 — CID 4030783

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)13-14-27-20-11-7-18(8-12-20)22(26)24(4)15-21(25)23-19-9-5-17(3)6-10-19/h5-12,16H,13-15H2,1-4H3,(H,23,25)
InChIKeyCOBVQNJQNHMYAG-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.13
Rot. Bonds8

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide (PubChem CID 4030783) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
PubChem CID4030783
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)13-14-27-20-11-7-18(8-12-20)22(26)24(4)15-21(25)23-19-9-5-17(3)6-10-19/h5-12,16H,13-15H2,1-4H3,(H,23,25)
InChIKeyCOBVQNJQNHMYAG-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4950008
tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide (CID 4030783) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide?
The InChIKey is COBVQNJQNHMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)13-14-27-20-11-7-18(8-12-20)22(26)24(4)15-21(25)23-19-9-5-17(3)6-10-19/h5-12,16H,13-15H2,1-4H3,(H,23,25).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4030783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).