2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide

C17H19N3O2 — CID 60572967

IUPAC2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)c1cccc2ccccc12
InChIInChI=1S/C17H19N3O2/c1-3-11-18-17(22)19-16(21)12-20(2)15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1,11-12H2,2H3,(H2,18,19,21,22)
InChIKeyAPFSCCMIRSJKIT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.29
Rot. Bonds5

About 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide

2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 60572967) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID60572967
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)c1cccc2ccccc12
InChIInChI=1S/C17H19N3O2/c1-3-11-18-17(22)19-16(21)12-20(2)15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1,11-12H2,2H3,(H2,18,19,21,22)
InChIKeyAPFSCCMIRSJKIT-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570477
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
N-(cyclopropylmethyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60573191
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium
CID 8006194
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 26430688
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 52685018
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide (CID 60572967) is 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(C)c1cccc2ccccc12.
What is the InChIKey of 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is APFSCCMIRSJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-11-18-17(22)19-16(21)12-20(2)15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1,11-12H2,2H3,(H2,18,19,21,22).
What are the key properties of 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 60572967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).