N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide

C17H21NO4 — CID 143922895

IUPACN-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
SMILESCOc1ccc(CN(CC(O)CO)C(C)=O)c2ccccc12
InChIInChI=1S/C17H21NO4/c1-12(20)18(10-14(21)11-19)9-13-7-8-17(22-2)16-6-4-3-5-15(13)16/h3-8,14,19,21H,9-11H2,1-2H3
InChIKeyKVSXBSQVMBXEOS-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.55
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide

N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide (PubChem CID 143922895) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
PubChem CID143922895
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
SMILESCOc1ccc(CN(CC(O)CO)C(C)=O)c2ccccc12
InChIInChI=1S/C17H21NO4/c1-12(20)18(10-14(21)11-19)9-13-7-8-17(22-2)16-6-4-3-5-15(13)16/h3-8,14,19,21H,9-11H2,1-2H3
InChIKeyKVSXBSQVMBXEOS-UHFFFAOYSA-N
XLogP1.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
CID 77094953
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
CID 118940116
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide (CID 143922895) is N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide is COc1ccc(CN(CC(O)CO)C(C)=O)c2ccccc12.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is KVSXBSQVMBXEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12(20)18(10-14(21)11-19)9-13-7-8-17(22-2)16-6-4-3-5-15(13)16/h3-8,14,19,21H,9-11H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide?
N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 143922895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).