N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C25H33NO4 — CID 19191715

IUPACN,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)N(C3CCCCC3)C3CCCCC3)ccc12
InChIInChI=1S/C25H33NO4/c1-17-15-24(27)30-23-16-21(13-14-22(17)23)29-18(2)25(28)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-16,18-20H,3-12H2,1-2H3
InChIKeyDZKYPWSCHFXSKJ-UHFFFAOYSA-N
MW411.54 g/mol
LogP5.36
Rot. Bonds5

About N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 19191715) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID19191715
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC NameN,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)N(C3CCCCC3)C3CCCCC3)ccc12
InChIInChI=1S/C25H33NO4/c1-17-15-24(27)30-23-16-21(13-14-22(17)23)29-18(2)25(28)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-16,18-20H,3-12H2,1-2H3
InChIKeyDZKYPWSCHFXSKJ-UHFFFAOYSA-N
XLogP5.36
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 51139898
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858957
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
7-[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967815
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 19191715) is N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)N(C3CCCCC3)C3CCCCC3)ccc12.
What is the InChIKey of N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is DZKYPWSCHFXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-17-15-24(27)30-23-16-21(13-14-22(17)23)29-18(2)25(28)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-16,18-20H,3-12H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 411.54 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 19191715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).