N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide

C25H28N2O4 — CID 171909408

IUPACN-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCCN(CCCN1CCOCC1)C(=O)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C25H28N2O4/c1-2-27(12-6-11-26-13-15-30-16-14-26)24(28)21-9-5-8-19(17-21)22-18-20-7-3-4-10-23(20)31-25(22)29/h3-5,7-10,17-18H,2,6,11-16H2,1H3
InChIKeyMZFKEKNPJBHJHI-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.64
Rot. Bonds7

About N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide

N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 171909408) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID171909408
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCCN(CCCN1CCOCC1)C(=O)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C25H28N2O4/c1-2-27(12-6-11-26-13-15-30-16-14-26)24(28)21-9-5-8-19(17-21)22-18-20-7-3-4-10-23(20)31-25(22)29/h3-5,7-10,17-18H,2,6,11-16H2,1H3
InChIKeyMZFKEKNPJBHJHI-UHFFFAOYSA-N
XLogP3.64
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one
CID 171388252
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-3-(2-oxochromen-3-yl)benzamide
CID 122169743
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(2-oxochromen-3-yl)benzamide
CID 171914835
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-3-(2-oxochromen-3-yl)benzamide
CID 171912909
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-(2-oxochromen-3-yl)benzamide
CID 162972340
3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one
CID 171385946
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-[4-(diethylaminomethyl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3364599
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 71056228
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-oxochromene-3-carboxamide;hydrochloride
CID 44936504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide (CID 171909408) is N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide is CCN(CCCN1CCOCC1)C(=O)c1cccc(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is MZFKEKNPJBHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-27(12-6-11-26-13-15-30-16-14-26)24(28)21-9-5-8-19(17-21)22-18-20-7-3-4-10-23(20)31-25(22)29/h3-5,7-10,17-18H,2,6,11-16H2,1H3.
What are the key properties of N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide?
N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 171909408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).