N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide

C20H24N2O3 — CID 112997486

IUPACN-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-10-5-6-11-17(16)22-18(23)13-21-19(24)14-8-7-9-15(12-14)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyVTJLBCUXHOCFAS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide

N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 112997486) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID112997486
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-10-5-6-11-17(16)22-18(23)13-21-19(24)14-8-7-9-15(12-14)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyVTJLBCUXHOCFAS-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112997491
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide (CID 112997486) is N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is VTJLBCUXHOCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-10-5-6-11-17(16)22-18(23)13-21-19(24)14-8-7-9-15(12-14)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide?
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 112997486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).