N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide

C13H17NO3 — CID 83030362

IUPACN-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESC[C@H](O)CNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C13H17NO3/c1-9(15)8-14-13(16)11-6-7-17-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6-8H2,1H3,(H,14,16)/t9-,11?/m0/s1
InChIKeyVAJBITVXTWXWQG-FTNKSUMCSA-N
MW235.28 g/mol
LogP1.05
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 83030362) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID83030362
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESC[C@H](O)CNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C13H17NO3/c1-9(15)8-14-13(16)11-6-7-17-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6-8H2,1H3,(H,14,16)/t9-,11?/m0/s1
InChIKeyVAJBITVXTWXWQG-FTNKSUMCSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.05
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
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 120652271
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
(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-(1-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 55248313
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 83030362) is N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide is C[C@H](O)CNC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is VAJBITVXTWXWQG-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)8-14-13(16)11-6-7-17-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6-8H2,1H3,(H,14,16)/t9-,11?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 83030362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).