N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide

C14H20N2O2 — CID 119408439

IUPACN-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
SMILESNCCCNC(=O)CC1OCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c15-7-3-8-16-14(17)10-13-12-5-2-1-4-11(12)6-9-18-13/h1-2,4-5,13H,3,6-10,15H2,(H,16,17)
InChIKeyDZXIDZFHFFXMNX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.16
Rot. Bonds5

About N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide

N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide (PubChem CID 119408439) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
PubChem CID119408439
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
SMILESNCCCNC(=O)CC1OCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c15-7-3-8-16-14(17)10-13-12-5-2-1-4-11(12)6-9-18-13/h1-2,4-5,13H,3,6-10,15H2,(H,16,17)
InChIKeyDZXIDZFHFFXMNX-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618
2-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537513
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 111386147
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-cyclopropyl-2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]acetic acid
CID 119213291
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 97082428
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 99167409

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide (CID 119408439) is N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide is NCCCNC(=O)CC1OCCc2ccccc21.
What is the InChIKey of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
The InChIKey is DZXIDZFHFFXMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-7-3-8-16-14(17)10-13-12-5-2-1-4-11(12)6-9-18-13/h1-2,4-5,13H,3,6-10,15H2,(H,16,17).
What are the key properties of N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide?
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide is sourced from PubChem (CID 119408439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).