N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide

C12H17N3O3 — CID 39819173

IUPACN-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)NN)cc1
InChIInChI=1S/C12H17N3O3/c1-8(12(17)15-13)14-11(16)7-9-3-5-10(18-2)6-4-9/h3-6,8H,7,13H2,1-2H3,(H,14,16)(H,15,17)/t8-/m0/s1
InChIKeyQWAVSTHTKBCPPR-QMMMGPOBSA-N
MW251.29 g/mol
LogP-0.27
Rot. Bonds5

About N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide

N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 39819173) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID39819173
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)NN)cc1
InChIInChI=1S/C12H17N3O3/c1-8(12(17)15-13)14-11(16)7-9-3-5-10(18-2)6-4-9/h3-6,8H,7,13H2,1-2H3,(H,14,16)(H,15,17)/t8-/m0/s1
InChIKeyQWAVSTHTKBCPPR-QMMMGPOBSA-N
XLogP-0.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide (CID 39819173) is N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@@H](C)C(=O)NN)cc1.
What is the InChIKey of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is QWAVSTHTKBCPPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(12(17)15-13)14-11(16)7-9-3-5-10(18-2)6-4-9/h3-6,8H,7,13H2,1-2H3,(H,14,16)(H,15,17)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide?
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 39819173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).