N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide

C16H20N2O3 — CID 79157114

IUPACN-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccc(C#CCCO)cc1)N1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-10-2-1-3-14-4-6-15(7-5-14)13-17-16(20)18-8-11-21-12-9-18/h4-7,19H,2,8-13H2,(H,17,20)
InChIKeyAVVCBLZGYHQAOU-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.96
Rot. Bonds3

About N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide

N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 79157114) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID79157114
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccc(C#CCCO)cc1)N1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-10-2-1-3-14-4-6-15(7-5-14)13-17-16(20)18-8-11-21-12-9-18/h4-7,19H,2,8-13H2,(H,17,20)
InChIKeyAVVCBLZGYHQAOU-UHFFFAOYSA-N
XLogP0.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-morpholin-4-ylmethanone
CID 65311076
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
N-(1H-pyrrol-3-ylmethyl)morpholine-4-carboxamide
CID 110873953
[3-(4-hydroxybut-1-ynyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62968355
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103121252
[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
CID 60817303
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
CID 79156733
N-(1H-pyrazol-4-ylmethyl)morpholine-4-carboxamide
CID 79151879
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-propoxypropanamide
CID 62717535

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide (CID 79157114) is N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide is O=C(NCc1ccc(C#CCCO)cc1)N1CCOCC1.
What is the InChIKey of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is AVVCBLZGYHQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-10-2-1-3-14-4-6-15(7-5-14)13-17-16(20)18-8-11-21-12-9-18/h4-7,19H,2,8-13H2,(H,17,20).
What are the key properties of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide?
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 79157114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).