N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide

C16H19NO4 — CID 95740998

IUPACN-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC[C@@H](O)c2ccco2)cc1
InChIInChI=1S/C16H19NO4/c1-20-13-6-4-12(5-7-13)11-16(19)17-9-8-14(18)15-3-2-10-21-15/h2-7,10,14,18H,8-9,11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyMYDXINXUDQPQLN-CQSZACIVSA-N
MW289.33 g/mol
LogP2.07
Rot. Bonds7

About N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide

N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 95740998) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
PubChem CID95740998
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC[C@@H](O)c2ccco2)cc1
InChIInChI=1S/C16H19NO4/c1-20-13-6-4-12(5-7-13)11-16(19)17-9-8-14(18)15-3-2-10-21-15/h2-7,10,14,18H,8-9,11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyMYDXINXUDQPQLN-CQSZACIVSA-N
XLogP2.07
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90523787
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
N'-(2,5-dimethoxyphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523941
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 110908541
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
CID 90523706
methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate
CID 54512248
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide (CID 95740998) is N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC[C@@H](O)c2ccco2)cc1.
What is the InChIKey of N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MYDXINXUDQPQLN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-13-6-4-12(5-7-13)11-16(19)17-9-8-14(18)15-3-2-10-21-15/h2-7,10,14,18H,8-9,11H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide?
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 95740998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).