N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide

C22H30N4O3 — CID 2862074

IUPACN-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
SMILESCC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-15(25-26-22(29)21(28)23-17-10-3-2-4-11-17)14-20(27)24-19-13-7-9-16-8-5-6-12-18(16)19/h7,9,13,17H,2-6,8,10-12,14H2,1H3,(H,23,28)(H,24,27)(H,26,29)
InChIKeySCQQFSRXDVXXHZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.84
Rot. Bonds5

About N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide

N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide (PubChem CID 2862074) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
PubChem CID2862074
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
SMILESCC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C22H30N4O3/c1-15(25-26-22(29)21(28)23-17-10-3-2-4-11-17)14-20(27)24-19-13-7-9-16-8-5-6-12-18(16)19/h7,9,13,17H,2-6,8,10-12,14H2,1H3,(H,23,28)(H,24,27)(H,26,29)
InChIKeySCQQFSRXDVXXHZ-UHFFFAOYSA-N
XLogP2.84
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
CID 3105655
2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide
CID 3105634
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
4-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111721234
2-(cyclopropylmethylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 60841919
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide?
The IUPAC name of N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide (CID 2862074) is N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide?
The canonical SMILES for N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide is CC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide?
The InChIKey is SCQQFSRXDVXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15(25-26-22(29)21(28)23-17-10-3-2-4-11-17)14-20(27)24-19-13-7-9-16-8-5-6-12-18(16)19/h7,9,13,17H,2-6,8,10-12,14H2,1H3,(H,23,28)(H,24,27)(H,26,29).
What are the key properties of N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide?
N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide has a molecular weight of 398.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide is sourced from PubChem (CID 2862074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).