N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide

C17H21NO3 — CID 10016919

IUPACN-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeySUFMDDIORSWOHT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide

N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide (PubChem CID 10016919) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide
PubChem CID10016919
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeySUFMDDIORSWOHT-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Agomelatine
CID 82148
Motretinide
CID 6314185
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, 4-chloro-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071634
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide (CID 10016919) is N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide is CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12.
What is the InChIKey of N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide?
The InChIKey is SUFMDDIORSWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide?
N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-dimethoxynaphthalen-1-yl)ethyl]propanamide is sourced from PubChem (CID 10016919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).