2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide

C22H32N4O3 — CID 86876277

IUPAC2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H32N4O3/c1-16(23-20(27)14-17-8-3-2-4-9-17)22(29)25-24-21(28)15-26-13-7-11-18-10-5-6-12-19(18)26/h5-6,10,12,16-17H,2-4,7-9,11,13-15H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyIYPVMHOQHWHTAS-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.06
Rot. Bonds6

About 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide

2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide (PubChem CID 86876277) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
PubChem CID86876277
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H32N4O3/c1-16(23-20(27)14-17-8-3-2-4-9-17)22(29)25-24-21(28)15-26-13-7-11-18-10-5-6-12-19(18)26/h5-6,10,12,16-17H,2-4,7-9,11,13-15H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyIYPVMHOQHWHTAS-UHFFFAOYSA-N
XLogP2.06
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide
CID 86945038
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
CID 8969590
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
1-cyclopropyl-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrrolidine-2-carbohydrazide
CID 102563376

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide (CID 86876277) is 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide is CC(NC(=O)CC1CCCCC1)C(=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide?
The InChIKey is IYPVMHOQHWHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-16(23-20(27)14-17-8-3-2-4-9-17)22(29)25-24-21(28)15-26-13-7-11-18-10-5-6-12-19(18)26/h5-6,10,12,16-17H,2-4,7-9,11,13-15H2,1H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide?
2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 86876277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).