(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C16H19N3O3 — CID 97142689

IUPAC(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)NCCc1cnc[nH]1)C2
InChIInChI=1S/C16H19N3O3/c1-21-14-4-2-3-11-7-12(9-22-15(11)14)16(20)18-6-5-13-8-17-10-19-13/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeyPSDCOYVTNKLUBJ-GFCCVEGCSA-N
MW301.35 g/mol
LogP1.33
Rot. Bonds5

About (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97142689) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97142689
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)NCCc1cnc[nH]1)C2
InChIInChI=1S/C16H19N3O3/c1-21-14-4-2-3-11-7-12(9-22-15(11)14)16(20)18-6-5-13-8-17-10-19-13/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeyPSDCOYVTNKLUBJ-GFCCVEGCSA-N
XLogP1.33
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70767537
(3S)-8-methoxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136861463
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97139845
N-[2-(1,3-benzothiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 50964204
(3S)-8-methoxy-N-(2-propylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115385
(3R)-8-methoxy-N-(2-pyridin-2-ylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97148603
(3R)-N-[3-(1,3-benzoxazol-2-yl)propyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97128800
(3S)-8-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97190367
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72863634
(3R)-8-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97195271
(3R)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123510
(3S)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123511

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 97142689) is (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OC[C@H](C(=O)NCCc1cnc[nH]1)C2.
What is the InChIKey of (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PSDCOYVTNKLUBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-14-4-2-3-11-7-12(9-22-15(11)14)16(20)18-6-5-13-8-17-10-19-13/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97142689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).