N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide

C19H22N2O3 — CID 108539237

IUPACN-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N2O3/c1-13-7-8-16(11-14(13)2)19(23)21-10-9-20-18(22)15-5-4-6-17(12-15)24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFYCZILSSYRDORN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.47
Rot. Bonds6

About N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide

N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide (PubChem CID 108539237) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
PubChem CID108539237
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N2O3/c1-13-7-8-16(11-14(13)2)19(23)21-10-9-20-18(22)15-5-4-6-17(12-15)24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFYCZILSSYRDORN-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide
CID 78874679

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide (CID 108539237) is N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide is COc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
The InChIKey is FYCZILSSYRDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-7-8-16(11-14(13)2)19(23)21-10-9-20-18(22)15-5-4-6-17(12-15)24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108539237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).