N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide

C23H26N2O3 — CID 30342817

IUPACN-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C)CCCNc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-16(2)17-9-11-18(12-10-17)23(27)25(3)14-6-13-24-20-15-22(26)28-21-8-5-4-7-19(20)21/h4-5,7-12,15-16,24H,6,13-14H2,1-3H3
InChIKeyMMEQOIARUMFLLB-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.49
Rot. Bonds7

About N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide

N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide (PubChem CID 30342817) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
PubChem CID30342817
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(C)CCCNc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C23H26N2O3/c1-16(2)17-9-11-18(12-10-17)23(27)25(3)14-6-13-24-20-15-22(26)28-21-8-5-4-7-19(20)21/h4-5,7-12,15-16,24H,6,13-14H2,1-3H3
InChIKeyMMEQOIARUMFLLB-UHFFFAOYSA-N
XLogP4.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
CID 30343078
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343075
2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30342976
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425
N-benzyl-2-methoxy-3-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343461
4-(2-aminoethylamino)chromen-2-one
CID 119085544
N-[2-amino-3-[(2-oxochromen-4-yl)amino]propyl]-N-methylthiophene-2-carboxamide
CID 138461060
N-benzyl-2-chloro-4-nitro-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343232
N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343292
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343311

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide (CID 30342817) is N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N(C)CCCNc2cc(=O)oc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide?
The InChIKey is MMEQOIARUMFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(2)17-9-11-18(12-10-17)23(27)25(3)14-6-13-24-20-15-22(26)28-21-8-5-4-7-19(20)21/h4-5,7-12,15-16,24H,6,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide?
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 30342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).