N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride

C17H27ClN2O4 — CID 119786416

IUPACN-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
SMILESCCOc1cc(CCCNC(=O)C2CNCCO2)ccc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-3-22-15-11-13(6-7-14(15)21-2)5-4-8-19-17(20)16-12-18-9-10-23-16;/h6-7,11,16,18H,3-5,8-10,12H2,1-2H3,(H,19,20);1H
InChIKeyBCRZBEPKDSBAHJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.55
Rot. Bonds8

About N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride

N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119786416) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119786416
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
SMILESCCOc1cc(CCCNC(=O)C2CNCCO2)ccc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-3-22-15-11-13(6-7-14(15)21-2)5-4-8-19-17(20)16-12-18-9-10-23-16;/h6-7,11,16,18H,3-5,8-10,12H2,1-2H3,(H,19,20);1H
InChIKeyBCRZBEPKDSBAHJ-UHFFFAOYSA-N
XLogP1.55
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
cis-(1S,2R)-2-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150507
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119786413
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786390
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119786388
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
CID 119675375
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride (CID 119786416) is N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride is CCOc1cc(CCCNC(=O)C2CNCCO2)ccc1OC.Cl.
What is the InChIKey of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is BCRZBEPKDSBAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-3-22-15-11-13(6-7-14(15)21-2)5-4-8-19-17(20)16-12-18-9-10-23-16;/h6-7,11,16,18H,3-5,8-10,12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride?
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119786416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).