3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide

C14H14N2O — CID 70213077

IUPAC3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide
SMILESCC(=Cc1cc2ccccc2cc1N)C(N)=O
InChIInChI=1S/C14H14N2O/c1-9(14(16)17)6-12-7-10-4-2-3-5-11(10)8-13(12)15/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyANIMOOUXMWHCSJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.31
Rot. Bonds2

About 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide

3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide (PubChem CID 70213077) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide
PubChem CID70213077
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide
SMILESCC(=Cc1cc2ccccc2cc1N)C(N)=O
InChIInChI=1S/C14H14N2O/c1-9(14(16)17)6-12-7-10-4-2-3-5-11(10)8-13(12)15/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyANIMOOUXMWHCSJ-UHFFFAOYSA-N
XLogP2.31
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enoate
CID 70214866
(E)-3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
CID 18348022
3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
CID 73431531
3-(2-tert-butylphenyl)-2-methylprop-2-enamide
CID 163362591
(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 142635275
(E)-2-methyl-3-(3-phenylphenyl)prop-2-enamide
CID 127034031
(E)-3-anthracen-1-yl-2-methylprop-2-enoic acid
CID 22062621
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
anthracene;carbamic acid
CID 175829051
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
3-methyltetracen-2-amine
CID 154953105
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide?
The IUPAC name of 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide (CID 70213077) is 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide is CC(=Cc1cc2ccccc2cc1N)C(N)=O.
What is the InChIKey of 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide?
The InChIKey is ANIMOOUXMWHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(14(16)17)6-12-7-10-4-2-3-5-11(10)8-13(12)15/h2-8H,15H2,1H3,(H2,16,17).
What are the key properties of 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide?
3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide has a molecular weight of 226.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 70213077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).