N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide

C15H22N2O3 — CID 119714378

IUPACN-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CNCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-8-19-13-5-3-12(4-6-13)10-17-15(18)14-11-16-7-9-20-14/h3-6,14,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyNLBTVEJZGFEABC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds6

About N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide

N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide (PubChem CID 119714378) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
PubChem CID119714378
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CNCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-8-19-13-5-3-12(4-6-13)10-17-15(18)14-11-16-7-9-20-14/h3-6,14,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyNLBTVEJZGFEABC-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 119847525
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119805525
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
CID 119758431
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide (CID 119714378) is N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide is CCCOc1ccc(CNC(=O)C2CNCCO2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is NLBTVEJZGFEABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-8-19-13-5-3-12(4-6-13)10-17-15(18)14-11-16-7-9-20-14/h3-6,14,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide?
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119714378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).