N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide

C23H27N3O4 — CID 175380473

IUPACN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
SMILESCOc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)C(C)NC(C)C
InChIInChI=1S/C23H27N3O4/c1-14(2)24-15(3)23(28)25-18-12-16(10-11-21(18)29-5)26(4)19-13-22(27)30-20-9-7-6-8-17(19)20/h6-15,24H,1-5H3,(H,25,28)
InChIKeyAJBPVYRAQWGDCP-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.89
Rot. Bonds7

About N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide

N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide (PubChem CID 175380473) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
PubChem CID175380473
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide
SMILESCOc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)C(C)NC(C)C
InChIInChI=1S/C23H27N3O4/c1-14(2)24-15(3)23(28)25-18-12-16(10-11-21(18)29-5)26(4)19-13-22(27)30-20-9-7-6-8-17(19)20/h6-15,24H,1-5H3,(H,25,28)
InChIKeyAJBPVYRAQWGDCP-UHFFFAOYSA-N
XLogP3.89
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
(2S)-2-amino-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-phenylacetamide
CID 167438387
(2S)-2-(dibutylamino)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]propanamide
CID 175862582
formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
CID 145279050
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
CID 135265412
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
CID 135259614
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 175389088
(2S)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 167438435
methoxymethane;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one;pentanedial
CID 145279080
4-[3-(2-amino-3-hydroxybutanoyl)-4-methoxy-N-methylanilino]chromen-2-one
CID 175576953
N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide
CID 175380372
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 3-methylbut-2-enoate
CID 135265494

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide (CID 175380473) is N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide is COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)C(C)NC(C)C.
What is the InChIKey of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide?
The InChIKey is AJBPVYRAQWGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14(2)24-15(3)23(28)25-18-12-16(10-11-21(18)29-5)26(4)19-13-22(27)30-20-9-7-6-8-17(19)20/h6-15,24H,1-5H3,(H,25,28).
What are the key properties of N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide?
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide has a molecular weight of 409.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 175380473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).