N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide

C16H23N3O2 — CID 78912261

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-7-17-12-16(20)18-15-5-3-14(4-6-15)13-19-8-10-21-11-9-19/h2-6,17H,1,7-13H2,(H,18,20)
InChIKeyGQSAXIPMPSXJFE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.23
Rot. Bonds7

About N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide

N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 78912261) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID78912261
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-7-17-12-16(20)18-15-5-3-14(4-6-15)13-19-8-10-21-11-9-19/h2-6,17H,1,7-13H2,(H,18,20)
InChIKeyGQSAXIPMPSXJFE-UHFFFAOYSA-N
XLogP1.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46606542
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 86978782
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 17445227
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide (CID 78912261) is N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is GQSAXIPMPSXJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-7-17-12-16(20)18-15-5-3-14(4-6-15)13-19-8-10-21-11-9-19/h2-6,17H,1,7-13H2,(H,18,20).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78912261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).