N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide

C18H23NO4 — CID 141409921

IUPACN-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(CO)(CO)NC(C)=O)c2ccccc12
InChIInChI=1S/C18H23NO4/c1-13(22)19-18(11-20,12-21)10-9-14-7-8-17(23-2)16-6-4-3-5-15(14)16/h3-8,20-21H,9-12H2,1-2H3,(H,19,22)
InChIKeyQXUPCODATWQBQU-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds7

About N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide

N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide (PubChem CID 141409921) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide
PubChem CID141409921
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(CO)(CO)NC(C)=O)c2ccccc12
InChIInChI=1S/C18H23NO4/c1-13(22)19-18(11-20,12-21)10-9-14-7-8-17(23-2)16-6-4-3-5-15(14)16/h3-8,20-21H,9-12H2,1-2H3,(H,19,22)
InChIKeyQXUPCODATWQBQU-UHFFFAOYSA-N
XLogP1.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Agomelatine
CID 82148
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
N-(4-Methoxy-2,3-dihydro-1H-phenalen-1-ylmethyl)-acetamide
CID 10199282
N-[2-(2-methoxy-1-naphthyl)ethyl]propionamide
CID 10244203
N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]acetamide
CID 10265309
n-[2-(3-Ethyl-7-methoxynaphthyl) ethyl]-acetamide
CID 10468427
N-[2-(3-(3-Hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]propionamide
CID 12985494
N-[2-(3-(3-Hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]butyramide
CID 12985495
N-[2-(3H-Benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340632

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide (CID 141409921) is N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide is COc1ccc(CCC(CO)(CO)NC(C)=O)c2ccccc12.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide?
The InChIKey is QXUPCODATWQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13(22)19-18(11-20,12-21)10-9-14-7-8-17(23-2)16-6-4-3-5-15(14)16/h3-8,20-21H,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)-4-(4-methoxynaphthalen-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 141409921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).