8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C23H28N2O4 — CID 46958337

IUPAC8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1ccc(OCCN3CCCC3)cc1)C2
InChIInChI=1S/C23H28N2O4/c1-27-21-6-4-5-17-15-18(16-29-22(17)21)23(26)24-19-7-9-20(10-8-19)28-14-13-25-11-2-3-12-25/h4-10,18H,2-3,11-16H2,1H3,(H,24,26)
InChIKeyLGPQTHINCZAXKQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.36
Rot. Bonds7

About 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46958337) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46958337
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1ccc(OCCN3CCCC3)cc1)C2
InChIInChI=1S/C23H28N2O4/c1-27-21-6-4-5-17-15-18(16-29-22(17)21)23(26)24-19-7-9-20(10-8-19)28-14-13-25-11-2-3-12-25/h4-10,18H,2-3,11-16H2,1H3,(H,24,26)
InChIKeyLGPQTHINCZAXKQ-UHFFFAOYSA-N
XLogP3.36
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131936486
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876
N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 156586272
8-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 169417243
(3R)-8-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97195271
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
(3S)-8-methoxy-N-(2-propylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115385
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92594770
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310791
6-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117076566

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 46958337) is 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)Nc1ccc(OCCN3CCCC3)cc1)C2.
What is the InChIKey of 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LGPQTHINCZAXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-27-21-6-4-5-17-15-18(16-29-22(17)21)23(26)24-19-7-9-20(10-8-19)28-14-13-25-11-2-3-12-25/h4-10,18H,2-3,11-16H2,1H3,(H,24,26).
What are the key properties of 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46958337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).