N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

C23H30N4O4 — CID 35768566

IUPACN-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C(C)C)cc1
InChIInChI=1S/C23H30N4O4/c1-6-31-19-12-10-16(11-13-19)21(28)24-20(15(2)3)23(30)26-25-22(29)17-8-7-9-18(14-17)27(4)5/h7-15,20H,6H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)/t20-/m0/s1
InChIKeyMGYGOGVMJUSONI-FQEVSTJZSA-N
MW426.52 g/mol
LogP2.37
Rot. Bonds8

About N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (PubChem CID 35768566) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
PubChem CID35768566
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C(C)C)cc1
InChIInChI=1S/C23H30N4O4/c1-6-31-19-12-10-16(11-13-19)21(28)24-20(15(2)3)23(30)26-25-22(29)17-8-7-9-18(14-17)27(4)5/h7-15,20H,6H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)/t20-/m0/s1
InChIKeyMGYGOGVMJUSONI-FQEVSTJZSA-N
XLogP2.37
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.37
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-[(2R)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7479586
N-[(2S)-1-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 31728604
benzyl N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 26262502
3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
N-[(2S)-1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55943153
4-ethoxy-N-[1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51148985
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78856899
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
(2S)-2-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119943039

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (CID 35768566) is N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C(C)C)cc1.
What is the InChIKey of N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The InChIKey is MGYGOGVMJUSONI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-6-31-19-12-10-16(11-13-19)21(28)24-20(15(2)3)23(30)26-25-22(29)17-8-7-9-18(14-17)27(4)5/h7-15,20H,6H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide has a molecular weight of 426.52 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 35768566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).