N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride

C14H21ClN2O2 — CID 119734025

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1COc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-15-8-4-7-14(17)16-12-9-11-5-2-3-6-13(11)18-10-12;/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,16,17);1H
InChIKeyBSDLKPBAIRLKIJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.53
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride

N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119734025) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119734025
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1COc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-15-8-4-7-14(17)16-12-9-11-5-2-3-6-13(11)18-10-12;/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,16,17);1H
InChIKeyBSDLKPBAIRLKIJ-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.53
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

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N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
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N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
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N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
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3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]propanamide
CID 124787465
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride (CID 119734025) is N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC1COc2ccccc2C1.Cl.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is BSDLKPBAIRLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-15-8-4-7-14(17)16-12-9-11-5-2-3-6-13(11)18-10-12;/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,16,17);1H.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride?
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119734025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).