2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide

C17H16N2O — CID 114939411

IUPAC2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide
SMILESNCC(=O)NCC#Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H16N2O/c18-11-16(20)19-10-2-4-12-6-7-14-9-8-13-3-1-5-15(12)17(13)14/h1,3,5-7H,8-11,18H2,(H,19,20)
InChIKeyFUNDXBAPLHDZIJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide

2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide (PubChem CID 114939411) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide
PubChem CID114939411
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide
SMILESNCC(=O)NCC#Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H16N2O/c18-11-16(20)19-10-2-4-12-6-7-14-9-8-13-3-1-5-15(12)17(13)14/h1,3,5-7H,8-11,18H2,(H,19,20)
InChIKeyFUNDXBAPLHDZIJ-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
CID 114777744
2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655
2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide
CID 114777662
2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
CID 50849902
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
CID 114939383
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
CID 169466362
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 806562

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide?
The IUPAC name of 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide (CID 114939411) is 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide is NCC(=O)NCC#Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide?
The InChIKey is FUNDXBAPLHDZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-11-16(20)19-10-2-4-12-6-7-14-9-8-13-3-1-5-15(12)17(13)14/h1,3,5-7H,8-11,18H2,(H,19,20).
What are the key properties of 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide?
2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide is sourced from PubChem (CID 114939411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).