N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide

C21H22N2O3 — CID 984297

IUPACN-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
SMILESCOc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C21H22N2O3/c1-14(24)23-17-9-16-10-20(25-2)21(26-3)12-18(16)19(11-17)22-13-15-7-5-4-6-8-15/h4-12,22H,13H2,1-3H3,(H,23,24)
InChIKeyBLZNVYNNKSHQAL-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.43
Rot. Bonds6

About N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide

N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide (PubChem CID 984297) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
PubChem CID984297
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
SMILESCOc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C21H22N2O3/c1-14(24)23-17-9-16-10-20(25-2)21(26-3)12-18(16)19(11-17)22-13-15-7-5-4-6-8-15/h4-12,22H,13H2,1-3H3,(H,23,24)
InChIKeyBLZNVYNNKSHQAL-UHFFFAOYSA-N
XLogP4.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
The IUPAC name of N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide (CID 984297) is N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
The canonical SMILES for N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide is COc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC.
What is the InChIKey of N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
The InChIKey is BLZNVYNNKSHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(24)23-17-9-16-10-20(25-2)21(26-3)12-18(16)19(11-17)22-13-15-7-5-4-6-8-15/h4-12,22H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide?
N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide is sourced from PubChem (CID 984297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).