N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide

C22H28N2O3 — CID 166343102

IUPACN-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc2ccccc2c1CN(C(=O)N1CC(OC)C1)C1CCCC1
InChIInChI=1S/C22H28N2O3/c1-26-18-13-23(14-18)22(25)24(17-8-4-5-9-17)15-20-19-10-6-3-7-16(19)11-12-21(20)27-2/h3,6-7,10-12,17-18H,4-5,8-9,13-15H2,1-2H3
InChIKeyONRAFJXKTYZYLH-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.04
Rot. Bonds5

About N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide

N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide (PubChem CID 166343102) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide
PubChem CID166343102
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc2ccccc2c1CN(C(=O)N1CC(OC)C1)C1CCCC1
InChIInChI=1S/C22H28N2O3/c1-26-18-13-23(14-18)22(25)24(17-8-4-5-9-17)15-20-19-10-6-3-7-16(19)11-12-21(20)27-2/h3,6-7,10-12,17-18H,4-5,8-9,13-15H2,1-2H3
InChIKeyONRAFJXKTYZYLH-UHFFFAOYSA-N
XLogP4.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide (CID 166343102) is N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide is COc1ccc2ccccc2c1CN(C(=O)N1CC(OC)C1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide?
The InChIKey is ONRAFJXKTYZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-18-13-23(14-18)22(25)24(17-8-4-5-9-17)15-20-19-10-6-3-7-16(19)11-12-21(20)27-2/h3,6-7,10-12,17-18H,4-5,8-9,13-15H2,1-2H3.
What are the key properties of N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide?
N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 166343102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).