N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

C20H24N2O3 — CID 3811913

IUPACN-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H24N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,19H,3,8-14H2,(H,21,23)
InChIKeyKYKOQRACRGXGOG-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.98
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (PubChem CID 3811913) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
PubChem CID3811913
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H24N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,19H,3,8-14H2,(H,21,23)
InChIKeyKYKOQRACRGXGOG-UHFFFAOYSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide 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

N-(2-chloroethyl)-1,2-dihydronaphtho[2,1-b]furan-2-carboxamide
CID 3472985
2-naphthalen-2-yloxy-N-(oxolan-2-ylmethyl)acetamide
CID 2887605
1-[2-(Naphthalen-1-yloxy)-acetyl]-piperidine-4-carboxylic acid amide
CID 773946
2-(2-naphthyloxy)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide
CID 811984
N-(2-methoxyethyl)-1,2-dihydronaphtho[2,1-b]furan-2-carboxamide
CID 3667337
N'-(1,2-dihydronaphtho[2,1-b]furan-2-ylcarbonyl)-N,N-dimethylhydrazonoformamide
CID 9657877
(RS)-Tetrahydro-furan-2-carboxylic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57385172
1-[2-(Naphthalen-2-yloxy)-acetyl]-piperidine-4-carboxylic acid amide
CID 1117184
(3-Phenethyl-2,3-dihydrobenzofuran-2-yl)(piperidin-1-yl)methanone
CID 44421051
N-[2-(2-methyl-1,2-dihydrobenzo[e][1]benzofuran-9-yl)ethyl]acetamide
CID 9795401
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 117683189
N-[3-(morpholin-4-yl)propyl]naphtho[2,1-b]furan-2-carboxamide
CID 3780809

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (CID 3811913) is N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is O=C(NCCCN1CCOCC1)C1Cc2c(ccc3ccccc23)O1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is KYKOQRACRGXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,19H,3,8-14H2,(H,21,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 3811913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).