N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide

C16H22N2O3 — CID 120654267

IUPACN-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1=Cc2cc(OC)ccc2OC1
InChIInChI=1S/C16H22N2O3/c1-4-17-11(2)9-18-16(19)13-7-12-8-14(20-3)5-6-15(12)21-10-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyDJWGRPSPZLYTHZ-LLVKDONJSA-N
MW290.36 g/mol
LogP1.59
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide

N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 120654267) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
PubChem CID120654267
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1=Cc2cc(OC)ccc2OC1
InChIInChI=1S/C16H22N2O3/c1-4-17-11(2)9-18-16(19)13-7-12-8-14(20-3)5-6-15(12)21-10-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyDJWGRPSPZLYTHZ-LLVKDONJSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119461393
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578380
N-[(2R)-1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 92713356
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 166186910

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide (CID 120654267) is N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide is CCN[C@H](C)CNC(=O)C1=Cc2cc(OC)ccc2OC1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is DJWGRPSPZLYTHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-17-11(2)9-18-16(19)13-7-12-8-14(20-3)5-6-15(12)21-10-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 120654267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).