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

C24H30N2O4 — CID 173254226

IUPACN-[1-[[(3S,6Z)-3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC1C/C=C\COC[C@H]1O
InChIInChI=1S/C24H30N2O4/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/h3-8,10-11,14,16,20-22,27H,9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/b6-5-/t20?,21?,22-/m1/s1
InChIKeyPLMFHTYBQVNBDK-VZFPGASWSA-N
MW410.51 g/mol
LogP2.81
Rot. Bonds6

About 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

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 (PubChem CID 173254226) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-[[(3S,6Z)-3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
PubChem CID173254226
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-[[(3S,6Z)-3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC1C/C=C\COC[C@H]1O
InChIInChI=1S/C24H30N2O4/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/h3-8,10-11,14,16,20-22,27H,9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/b6-5-/t20?,21?,22-/m1/s1
InChIKeyPLMFHTYBQVNBDK-VZFPGASWSA-N
XLogP2.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
CID 67699188
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
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 6667462
N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 22951581
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
CID 67699186

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)NC1C/C=C\COC[C@H]1O.
What is the InChIKey of 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?
The InChIKey is PLMFHTYBQVNBDK-VZFPGASWSA-N. The full InChI is InChI=1S/C24H30N2O4/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/h3-8,10-11,14,16,20-22,27H,9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/b6-5-/t20?,21?,22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 410.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 173254226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).