N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C18H23NO4 — CID 73319516

IUPACN-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC1C=C(C(=O)NC2CC2)OC(OCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H23NO4/c1-12-8-16(18(21)19-15-6-7-15)23-17(9-12)22-11-14-4-2-13(10-20)3-5-14/h2-5,8,12,15,17,20H,6-7,9-11H2,1H3,(H,19,21)
InChIKeyPYIMFIKMQFYLIY-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.24
Rot. Bonds6

About N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide

N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 73319516) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID73319516
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC1C=C(C(=O)NC2CC2)OC(OCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H23NO4/c1-12-8-16(18(21)19-15-6-7-15)23-17(9-12)22-11-14-4-2-13(10-20)3-5-14/h2-5,8,12,15,17,20H,6-7,9-11H2,1H3,(H,19,21)
InChIKeyPYIMFIKMQFYLIY-UHFFFAOYSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760560
(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23789403
(2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930811
(2S,4R)-4-cyclobutyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23874911
(2R,4S)-4-cyclobutyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902680
(2S,4S)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-iodophenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23958584
(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6667209
(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986438
(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669940
(2R,4R)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6666987
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-iodophenyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 23958501
[(2R,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
CID 6669818

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 73319516) is N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is CC1C=C(C(=O)NC2CC2)OC(OCc2ccc(CO)cc2)C1.
What is the InChIKey of N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PYIMFIKMQFYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-8-16(18(21)19-15-6-7-15)23-17(9-12)22-11-14-4-2-13(10-20)3-5-14/h2-5,8,12,15,17,20H,6-7,9-11H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 73319516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).