N-(3-acetamidophenyl)morpholine-4-carboxamide

C13H17N3O3 — CID 3707113

IUPACN-(3-acetamidophenyl)morpholine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17N3O3/c1-10(17)14-11-3-2-4-12(9-11)15-13(18)16-5-7-19-8-6-16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyYHFQGMSYEKFNBE-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.51
Rot. Bonds2

About N-(3-acetamidophenyl)morpholine-4-carboxamide

N-(3-acetamidophenyl)morpholine-4-carboxamide (PubChem CID 3707113) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-acetamidophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)morpholine-4-carboxamide
PubChem CID3707113
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-acetamidophenyl)morpholine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17N3O3/c1-10(17)14-11-3-2-4-12(9-11)15-13(18)16-5-7-19-8-6-16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyYHFQGMSYEKFNBE-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-formamidophenyl)morpholine-4-carboxamide
CID 168652828
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 115277723
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]morpholine-4-carboxamide
CID 67712660
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)morpholine-4-carboxamide (CID 3707113) is N-(3-acetamidophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)morpholine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)morpholine-4-carboxamide?
The InChIKey is YHFQGMSYEKFNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10(17)14-11-3-2-4-12(9-11)15-13(18)16-5-7-19-8-6-16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-acetamidophenyl)morpholine-4-carboxamide?
N-(3-acetamidophenyl)morpholine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 3707113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).