N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide

C25H38FN3O3 — CID 51362641

IUPACN-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
SMILESCC(CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C25H38FN3O3/c1-19(17-24(31)28-29-25(32)20-12-11-13-21(26)18-20)16-23(30)27-22-14-9-7-5-3-2-4-6-8-10-15-22/h11-13,18-19,22H,2-10,14-17H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyOXFMCSXUZAZGNS-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.79
Rot. Bonds6

About N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide

N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide (PubChem CID 51362641) has the molecular formula C25H38FN3O3 and a molecular weight of 447.60 g/mol. Its IUPAC name is N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound NameN-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
PubChem CID51362641
Molecular FormulaC25H38FN3O3
Molecular Weight447.60 g/mol
Exact Mass447.29
IUPAC NameN-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
SMILESCC(CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C25H38FN3O3/c1-19(17-24(31)28-29-25(32)20-12-11-13-21(26)18-20)16-23(30)27-22-14-9-7-5-3-2-4-6-8-10-15-22/h11-13,18-19,22H,2-10,14-17H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyOXFMCSXUZAZGNS-UHFFFAOYSA-N
XLogP4.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 81352151
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CID 39963895
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948
methyl (2R)-2-[[(3S)-5-(cyclohexylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 7326241
methyl (2R)-2-[[(3R)-5-(cyclododecylamino)-3-methyl-5-oxopentanoyl]amino]-3-phenylpropanoate
CID 41263636
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
N-[6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide
CID 42138386
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
The IUPAC name of N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide (CID 51362641) is N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
The canonical SMILES for N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide is CC(CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
The InChIKey is OXFMCSXUZAZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38FN3O3/c1-19(17-24(31)28-29-25(32)20-12-11-13-21(26)18-20)16-23(30)27-22-14-9-7-5-3-2-4-6-8-10-15-22/h11-13,18-19,22H,2-10,14-17H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide has a molecular weight of 447.60 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 51362641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).