N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide

C16H19NO4 — CID 170830867

IUPACN-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
SMILESCOc1ccc(C(O)C(O)CNC(C)=O)c2ccccc12
InChIInChI=1S/C16H19NO4/c1-10(18)17-9-14(19)16(20)13-7-8-15(21-2)12-6-4-3-5-11(12)13/h3-8,14,16,19-20H,9H2,1-2H3,(H,17,18)
InChIKeyNHOQNHGRJJCKRK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.38
Rot. Bonds5

About N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide

N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide (PubChem CID 170830867) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
PubChem CID170830867
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
SMILESCOc1ccc(C(O)C(O)CNC(C)=O)c2ccccc12
InChIInChI=1S/C16H19NO4/c1-10(18)17-9-14(19)16(20)13-7-8-15(21-2)12-6-4-3-5-11(12)13/h3-8,14,16,19-20H,9H2,1-2H3,(H,17,18)
InChIKeyNHOQNHGRJJCKRK-UHFFFAOYSA-N
XLogP1.38
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830619
3-(3-acetamido-1,2-dihydroxypropyl)-2-methoxybenzoic acid
CID 170830664
3,4-dihydroxy-4-(4-methoxynaphthalen-1-yl)butanenitrile
CID 171901774
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397
N-[3-(5-formyl-2,3-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831222
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide (CID 170830867) is N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide is COc1ccc(C(O)C(O)CNC(C)=O)c2ccccc12.
What is the InChIKey of N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide?
The InChIKey is NHOQNHGRJJCKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(18)17-9-14(19)16(20)13-7-8-15(21-2)12-6-4-3-5-11(12)13/h3-8,14,16,19-20H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide is sourced from PubChem (CID 170830867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).