3-amino-N-prop-2-enylnaphthalene-2-carboxamide

C14H14N2O — CID 61207809

IUPAC3-amino-N-prop-2-enylnaphthalene-2-carboxamide
SMILESC=CCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C14H14N2O/c1-2-7-16-14(17)12-8-10-5-3-4-6-11(10)9-13(12)15/h2-6,8-9H,1,7,15H2,(H,16,17)
InChIKeyUYTFJORYRWPQCK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-N-prop-2-enylnaphthalene-2-carboxamide

3-amino-N-prop-2-enylnaphthalene-2-carboxamide (PubChem CID 61207809) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-N-prop-2-enylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enylnaphthalene-2-carboxamide
PubChem CID61207809
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-prop-2-enylnaphthalene-2-carboxamide
SMILESC=CCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C14H14N2O/c1-2-7-16-14(17)12-8-10-5-3-4-6-11(10)9-13(12)15/h2-6,8-9H,1,7,15H2,(H,16,17)
InChIKeyUYTFJORYRWPQCK-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminonaphthalen-2-yl)but-3-en-1-one
CID 116560321
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-prop-2-enylnaphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-prop-2-enylnaphthalene-2-carboxamide (CID 61207809) is 3-amino-N-prop-2-enylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-prop-2-enylnaphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-prop-2-enylnaphthalene-2-carboxamide is C=CCNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-prop-2-enylnaphthalene-2-carboxamide?
The InChIKey is UYTFJORYRWPQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-7-16-14(17)12-8-10-5-3-4-6-11(10)9-13(12)15/h2-6,8-9H,1,7,15H2,(H,16,17).
What are the key properties of 3-amino-N-prop-2-enylnaphthalene-2-carboxamide?
3-amino-N-prop-2-enylnaphthalene-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-enylnaphthalene-2-carboxamide is sourced from PubChem (CID 61207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).