N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

C19H21NO4 — CID 4839643

IUPACN-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1coc2c(C)c3oc(=O)c(CC(=O)NC(C)C)c(C)c3cc12
InChIInChI=1S/C19H21NO4/c1-9(2)20-16(21)7-15-11(4)14-6-13-10(3)8-23-17(13)12(5)18(14)24-19(15)22/h6,8-9H,7H2,1-5H3,(H,20,21)
InChIKeyNTTLUJXRFGOUEX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.53
Rot. Bonds3

About N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4839643) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
PubChem CID4839643
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1coc2c(C)c3oc(=O)c(CC(=O)NC(C)C)c(C)c3cc12
InChIInChI=1S/C19H21NO4/c1-9(2)20-16(21)7-15-11(4)14-6-13-10(3)8-23-17(13)12(5)18(14)24-19(15)22/h6,8-9H,7H2,1-5H3,(H,20,21)
InChIKeyNTTLUJXRFGOUEX-UHFFFAOYSA-N
XLogP3.53
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
CID 3631759
4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid
CID 3715407
4-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
CID 3276801
N-[(1R)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 124861980
(2R)-2-[[2-[3-(4-bromophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]propanoic acid
CID 177429749
6-(iodomethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18421443
(2S)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]propanoic acid
CID 6851189
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 97488960
(2S)-1-[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 6351320
2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 3832640
N-(oxolan-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 43912877
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 75492017

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 4839643) is N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is Cc1coc2c(C)c3oc(=O)c(CC(=O)NC(C)C)c(C)c3cc12.
What is the InChIKey of N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The InChIKey is NTTLUJXRFGOUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-9(2)20-16(21)7-15-11(4)14-6-13-10(3)8-23-17(13)12(5)18(14)24-19(15)22/h6,8-9H,7H2,1-5H3,(H,20,21).
What are the key properties of N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4839643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).