N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide

C23H25N3O4 — CID 134813006

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide
SMILESCc1cc(=O)oc2cc(OCCCC(=O)NN=Cc3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C23H25N3O4/c1-16-13-23(28)30-21-14-19(10-11-20(16)21)29-12-4-5-22(27)25-24-15-17-6-8-18(9-7-17)26(2)3/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,27)
InChIKeyQCSARPUORRSGJB-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.48
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide (PubChem CID 134813006) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide
PubChem CID134813006
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide
SMILESCc1cc(=O)oc2cc(OCCCC(=O)NN=Cc3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C23H25N3O4/c1-16-13-23(28)30-21-14-19(10-11-20(16)21)29-12-4-5-22(27)25-24-15-17-6-8-18(9-7-17)26(2)3/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,27)
InChIKeyQCSARPUORRSGJB-UHFFFAOYSA-N
XLogP3.48
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide (CID 134813006) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide is Cc1cc(=O)oc2cc(OCCCC(=O)NN=Cc3ccc(N(C)C)cc3)ccc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide?
The InChIKey is QCSARPUORRSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-13-23(28)30-21-14-19(10-11-20(16)21)29-12-4-5-22(27)25-24-15-17-6-8-18(9-7-17)26(2)3/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide has a molecular weight of 407.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methyl-2-oxochromen-7-yl)oxybutanamide is sourced from PubChem (CID 134813006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).