N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C21H24N2O4 — CID 4911936

IUPACN-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)NCCCN(C)C)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C21H24N2O4/c1-14-18(26-13-19(24)22-11-6-12-23(2)3)10-9-16-15-7-4-5-8-17(15)21(25)27-20(14)16/h4-5,7-10H,6,11-13H2,1-3H3,(H,22,24)
InChIKeyVPXJBUYLGDOKIU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.70
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 4911936) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID4911936
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)NCCCN(C)C)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C21H24N2O4/c1-14-18(26-13-19(24)22-11-6-12-23(2)3)10-9-16-15-7-4-5-8-17(15)21(25)27-20(14)16/h4-5,7-10H,6,11-13H2,1-3H3,(H,22,24)
InChIKeyVPXJBUYLGDOKIU-UHFFFAOYSA-N
XLogP2.70
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4973651
N-(3-hydroxypropyl)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]butanamide
CID 73400872
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
5-(carbamoylamino)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
CID 3441402
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4900576
3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4837681
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 2389301
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 4911936) is N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is Cc1c(OCC(=O)NCCCN(C)C)ccc2c1oc(=O)c1ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is VPXJBUYLGDOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-18(26-13-19(24)22-11-6-12-23(2)3)10-9-16-15-7-4-5-8-17(15)21(25)27-20(14)16/h4-5,7-10H,6,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 368.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 4911936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).