N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide

C24H28N2O4 — CID 173254193

IUPACN-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1C/C=C\COCC1=O
InChIInChI=1S/C24H28N2O4/c1-16(2)13-21(24(29)25-20-9-5-6-12-30-15-22(20)27)26-23(28)19-11-10-17-7-3-4-8-18(17)14-19/h3-8,10-11,14,16,20-21H,9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/b6-5-/t20-,21?/m0/s1
InChIKeyFOMUUNFCJDZYTK-KETLOJFTSA-N
MW408.50 g/mol
LogP3.01
Rot. Bonds6

About N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide

N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide (PubChem CID 173254193) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
PubChem CID173254193
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1C/C=C\COCC1=O
InChIInChI=1S/C24H28N2O4/c1-16(2)13-21(24(29)25-20-9-5-6-12-30-15-22(20)27)26-23(28)19-11-10-17-7-3-4-8-18(17)14-19/h3-8,10-11,14,16,20-21H,9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/b6-5-/t20-,21?/m0/s1
InChIKeyFOMUUNFCJDZYTK-KETLOJFTSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[(3S,6Z)-3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 173254226
N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 22951581
N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 10231812
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 70081070
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
N-[(2S)-4-methyl-1-oxo-1-[[(4R)-5-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]isoquinoline-6-carboxamide
CID 59045736
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-2-oxooxolan-3-yl]amino]pentan-2-yl]-10H-phenothiazine-2-carboxamide
CID 10274936
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-5-propyloxan-4-yl]amino]pentan-2-yl]-3-piperidin-1-ylbenzamide
CID 90702063
(2R,5S)-5-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-2-methyl-6-oxoazepane-1-carboxylic acid
CID 69000666
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide (CID 173254193) is N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide is CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1C/C=C\COCC1=O.
What is the InChIKey of N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is FOMUUNFCJDZYTK-KETLOJFTSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)13-21(24(29)25-20-9-5-6-12-30-15-22(20)27)26-23(28)19-11-10-17-7-3-4-8-18(17)14-19/h3-8,10-11,14,16,20-21H,9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/b6-5-/t20-,21?/m0/s1.
What are the key properties of N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 173254193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).