N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide

C22H27N3O5 — CID 9343276

IUPACN-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H27N3O5/c1-5-29-18-8-10-19(11-9-18)30-16(4)21(27)25-24-20(26)13-23-22(28)17-7-6-14(2)15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)/t16-/m0/s1
InChIKeyYIAWKMYOYPWQPO-INIZCTEOSA-N
MW413.47 g/mol
LogP2.05
Rot. Bonds8

About N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 9343276) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID9343276
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H27N3O5/c1-5-29-18-8-10-19(11-9-18)30-16(4)21(27)25-24-20(26)13-23-22(28)17-7-6-14(2)15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)/t16-/m0/s1
InChIKeyYIAWKMYOYPWQPO-INIZCTEOSA-N
XLogP2.05
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 43004148
N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18229898

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide (CID 9343276) is N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is YIAWKMYOYPWQPO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-29-18-8-10-19(11-9-18)30-16(4)21(27)25-24-20(26)13-23-22(28)17-7-6-14(2)15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)/t16-/m0/s1.
What are the key properties of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9343276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).