N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide

C25H30N4O3 — CID 67754538

IUPACN-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide
SMILESNN=C(N)c1cc(=O)c2cccc(NC(=O)CCCCCCCCc3ccccc3)c2o1
InChIInChI=1S/C25H30N4O3/c26-25(29-27)22-17-21(30)19-14-10-15-20(24(19)32-22)28-23(31)16-9-4-2-1-3-6-11-18-12-7-5-8-13-18/h5,7-8,10,12-15,17H,1-4,6,9,11,16,27H2,(H2,26,29)(H,28,31)
InChIKeyHYFOORXGMOFTGK-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.28
Rot. Bonds11

About N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide

N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide (PubChem CID 67754538) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide.

Molecular Properties

Compound NameN-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide
PubChem CID67754538
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide
SMILESNN=C(N)c1cc(=O)c2cccc(NC(=O)CCCCCCCCc3ccccc3)c2o1
InChIInChI=1S/C25H30N4O3/c26-25(29-27)22-17-21(30)19-14-10-15-20(24(19)32-22)28-23(31)16-9-4-2-1-3-6-11-18-12-7-5-8-13-18/h5,7-8,10,12-15,17H,1-4,6,9,11,16,27H2,(H2,26,29)(H,28,31)
InChIKeyHYFOORXGMOFTGK-UHFFFAOYSA-N
XLogP4.28
TPSA123.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
butyl 8-[(4-heptylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926756
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
8-[[6-chloro-2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-4-oxochromene-2-carboxylic acid
CID 19606287
ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606289
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
CID 71733647
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide?
The IUPAC name of N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide (CID 67754538) is N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide.
What is the SMILES notation for N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide?
The canonical SMILES for N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide is NN=C(N)c1cc(=O)c2cccc(NC(=O)CCCCCCCCc3ccccc3)c2o1.
What is the InChIKey of N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide?
The InChIKey is HYFOORXGMOFTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c26-25(29-27)22-17-21(30)19-14-10-15-20(24(19)32-22)28-23(31)16-9-4-2-1-3-6-11-18-12-7-5-8-13-18/h5,7-8,10,12-15,17H,1-4,6,9,11,16,27H2,(H2,26,29)(H,28,31).
What are the key properties of N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide?
N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide has a molecular weight of 434.54 g/mol, XLogP of 4.28, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide is sourced from PubChem (CID 67754538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).