N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide

C19H28N2O4 — CID 95285110

IUPACN-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-4-5-6-19(22)20-14-16(21-9-11-25-12-10-21)15-7-8-17(23-2)18(13-15)24-3/h4,7-8,13,16H,1,5-6,9-12,14H2,2-3H3,(H,20,22)/t16-/m0/s1
InChIKeyRETNWTOIHSTWTN-INIZCTEOSA-N
MW348.44 g/mol
LogP2.16
Rot. Bonds9

About N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide (PubChem CID 95285110) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
PubChem CID95285110
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-4-5-6-19(22)20-14-16(21-9-11-25-12-10-21)15-7-8-17(23-2)18(13-15)24-3/h4,7-8,13,16H,1,5-6,9-12,14H2,2-3H3,(H,20,22)/t16-/m0/s1
InChIKeyRETNWTOIHSTWTN-INIZCTEOSA-N
XLogP2.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46448746
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide?
The IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide (CID 95285110) is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide?
The canonical SMILES for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide is C=CCCC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide?
The InChIKey is RETNWTOIHSTWTN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-5-6-19(22)20-14-16(21-9-11-25-12-10-21)15-7-8-17(23-2)18(13-15)24-3/h4,7-8,13,16H,1,5-6,9-12,14H2,2-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide?
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide has a molecular weight of 348.44 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide is sourced from PubChem (CID 95285110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).