N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide

C22H24ClNO4 — CID 76869519

IUPACN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C22H24ClNO4/c1-2-26-20-8-4-3-6-16(20)9-12-22(25)24-19-14-17(23)10-11-21(19)28-15-18-7-5-13-27-18/h3-4,6,8-12,14,18H,2,5,7,13,15H2,1H3,(H,24,25)
InChIKeyLCWQGBVTDPVHHZ-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.95
Rot. Bonds8

About N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide

N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 76869519) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID76869519
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C22H24ClNO4/c1-2-26-20-8-4-3-6-16(20)9-12-22(25)24-19-14-17(23)10-11-21(19)28-15-18-7-5-13-27-18/h3-4,6,8-12,14,18H,2,5,7,13,15H2,1H3,(H,24,25)
InChIKeyLCWQGBVTDPVHHZ-UHFFFAOYSA-N
XLogP4.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 76869524
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 60576018
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60576211
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 5226614
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide (CID 76869519) is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1C=CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1.
What is the InChIKey of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is LCWQGBVTDPVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-2-26-20-8-4-3-6-16(20)9-12-22(25)24-19-14-17(23)10-11-21(19)28-15-18-7-5-13-27-18/h3-4,6,8-12,14,18H,2,5,7,13,15H2,1H3,(H,24,25).
What are the key properties of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide?
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 401.89 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 76869519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).