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

C15H22N2O2 — CID 120652271

IUPACN-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-3-16-11(2)10-17-15(18)13-8-9-19-14-7-5-4-6-12(13)14/h4-7,11,13,16H,3,8-10H2,1-2H3,(H,17,18)/t11-,13?/m1/s1
InChIKeyLWOKCSZLHFTSKN-JTDNENJMSA-N
MW262.35 g/mol
LogP1.67
Rot. Bonds5

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

N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 120652271) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID120652271
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-3-16-11(2)10-17-15(18)13-8-9-19-14-7-5-4-6-12(13)14/h4-7,11,13,16H,3,8-10H2,1-2H3,(H,17,18)/t11-,13?/m1/s1
InChIKeyLWOKCSZLHFTSKN-JTDNENJMSA-N
XLogP1.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103512642
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
2-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220663
N-(3-amino-2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119996124
(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-(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-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 120652271) is N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide is CCN[C@H](C)CNC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is LWOKCSZLHFTSKN-JTDNENJMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16-11(2)10-17-15(18)13-8-9-19-14-7-5-4-6-12(13)14/h4-7,11,13,16H,3,8-10H2,1-2H3,(H,17,18)/t11-,13?/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 120652271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).