N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide

C14H18ClN5O2 — CID 131936026

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN5O2/c1-11-16-17-18-20(11)7-6-14(21)19(2)8-9-22-13-5-3-4-12(15)10-13/h3-5,10H,6-9H2,1-2H3
InChIKeyUJPALMVLQWOBHW-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.56
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 131936026) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID131936026
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN5O2/c1-11-16-17-18-20(11)7-6-14(21)19(2)8-9-22-13-5-3-4-12(15)10-13/h3-5,10H,6-9H2,1-2H3
InChIKeyUJPALMVLQWOBHW-UHFFFAOYSA-N
XLogP1.56
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 31643906
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
N-[2-(3-chlorophenoxy)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 55439817
N-[2-(3-chlorophenoxy)ethyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide
CID 39169946
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17460797
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide (CID 131936026) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is UJPALMVLQWOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-11-16-17-18-20(11)7-6-14(21)19(2)8-9-22-13-5-3-4-12(15)10-13/h3-5,10H,6-9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 323.78 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 131936026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).