N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C16H23ClN2O2 — CID 126801145

IUPACN-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)CCC1
InChIInChI=1S/C16H23ClN2O2/c1-19(2)10-12-9-13(5-6-14(12)17)18-15(20)16(11-21-3)7-4-8-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyPDZMIJSFBNITIR-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.16
Rot. Bonds6

About N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 126801145) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID126801145
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)CCC1
InChIInChI=1S/C16H23ClN2O2/c1-19(2)10-12-9-13(5-6-14(12)17)18-15(20)16(11-21-3)7-4-8-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyPDZMIJSFBNITIR-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645221
N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
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1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624220
N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635085
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621053
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide
CID 141114710

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 126801145) is N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)CCC1.
What is the InChIKey of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is PDZMIJSFBNITIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(2)10-12-9-13(5-6-14(12)17)18-15(20)16(11-21-3)7-4-8-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 126801145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).