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

C14H20N2O2 — CID 103512642

IUPACN-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCNC(C)CNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(15-2)9-16-14(17)12-7-8-18-13-6-4-3-5-11(12)13/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyHBPWRRBFMBJCIB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds4

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

N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 103512642) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID103512642
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCNC(C)CNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(15-2)9-16-14(17)12-7-8-18-13-6-4-3-5-11(12)13/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyHBPWRRBFMBJCIB-UHFFFAOYSA-N
XLogP1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 120652271
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-(3-amino-2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119996124
2-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220663
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 103512642) is N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide is CNC(C)CNC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is HBPWRRBFMBJCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15-2)9-16-14(17)12-7-8-18-13-6-4-3-5-11(12)13/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 103512642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).