N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide

C14H20N2O2 — CID 63709735

IUPACN-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCNCCCNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-15-8-4-9-16-14(17)12-7-10-18-13-6-3-2-5-11(12)13/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,16,17)
InChIKeyGAUJCZKIJKMHAP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63709735) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63709735
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCNCCCNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-15-8-4-9-16-14(17)12-7-10-18-13-6-3-2-5-11(12)13/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,16,17)
InChIKeyGAUJCZKIJKMHAP-UHFFFAOYSA-N
XLogP1.28
TPSA50.36 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 ≤ 51.28
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

N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 71973238
N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103512642
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103767456
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 115700275
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
4-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542145
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 63709735) is N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide is CNCCCNC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is GAUJCZKIJKMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-8-4-9-16-14(17)12-7-10-18-13-6-3-2-5-11(12)13/h2-3,5-6,12,15H,4,7-10H2,1H3,(H,16,17).
What are the key properties of N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63709735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).