N-(2-acetamidoethyl)-4-methoxybenzamide

C12H16N2O3 — CID 30596623

IUPACN-(2-acetamidoethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(15)13-7-8-14-12(16)10-3-5-11(17-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyRLRWKYMRGAIKIB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.56
Rot. Bonds5

About N-(2-acetamidoethyl)-4-methoxybenzamide

N-(2-acetamidoethyl)-4-methoxybenzamide (PubChem CID 30596623) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-methoxybenzamide
PubChem CID30596623
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-acetamidoethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(15)13-7-8-14-12(16)10-3-5-11(17-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyRLRWKYMRGAIKIB-UHFFFAOYSA-N
XLogP0.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.56
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-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-pentylbenzamide
CID 3113360
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-methoxybenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-methoxybenzamide (CID 30596623) is N-(2-acetamidoethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(C)=O)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-methoxybenzamide?
The InChIKey is RLRWKYMRGAIKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)13-7-8-14-12(16)10-3-5-11(17-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-acetamidoethyl)-4-methoxybenzamide?
N-(2-acetamidoethyl)-4-methoxybenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-methoxybenzamide is sourced from PubChem (CID 30596623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).