N-acetylmorpholine-4-carboxamide

C7H12N2O3 — CID 102407930

IUPACN-acetylmorpholine-4-carboxamide
SMILESCC(=O)NC(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O3/c1-6(10)8-7(11)9-2-4-12-5-3-9/h2-5H2,1H3,(H,8,10,11)
InChIKeyCLKZATRADRDQFQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.43
Rot. Bonds

About N-acetylmorpholine-4-carboxamide

N-acetylmorpholine-4-carboxamide (PubChem CID 102407930) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is N-acetylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-acetylmorpholine-4-carboxamide
PubChem CID102407930
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC NameN-acetylmorpholine-4-carboxamide
SMILESCC(=O)NC(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O3/c1-6(10)8-7(11)9-2-4-12-5-3-9/h2-5H2,1H3,(H,8,10,11)
InChIKeyCLKZATRADRDQFQ-UHFFFAOYSA-N
XLogP-0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
N-(propan-2-ylideneamino)morpholine-4-carboxamide
CID 130660233
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
morpholine-4-carbohydrazide;hydrochloride
CID 138112583
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
N-propylmorpholine-4-carboxamide
CID 3410822
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
N-(4-aminobutanoyl)morpholine-4-carboxamide
CID 82509016

Frequently Asked Questions

What is the IUPAC name of N-acetylmorpholine-4-carboxamide?
The IUPAC name of N-acetylmorpholine-4-carboxamide (CID 102407930) is N-acetylmorpholine-4-carboxamide.
What is the SMILES notation for N-acetylmorpholine-4-carboxamide?
The canonical SMILES for N-acetylmorpholine-4-carboxamide is CC(=O)NC(=O)N1CCOCC1.
What is the InChIKey of N-acetylmorpholine-4-carboxamide?
The InChIKey is CLKZATRADRDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-6(10)8-7(11)9-2-4-12-5-3-9/h2-5H2,1H3,(H,8,10,11).
What are the key properties of N-acetylmorpholine-4-carboxamide?
N-acetylmorpholine-4-carboxamide has a molecular weight of 172.18 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylmorpholine-4-carboxamide is sourced from PubChem (CID 102407930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).