N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide

C17H27ClN2O3 — CID 119642923

IUPACN-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(N)(CC)CC)cc1OC
InChIInChI=1S/C17H27ClN2O3/c1-5-8-23-15-13(18)9-12(10-14(15)22-4)16(21)20-11-17(19,6-2)7-3/h9-10H,5-8,11,19H2,1-4H3,(H,20,21)
InChIKeyPMSMUKSJBFWSSN-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.38
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide

N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide (PubChem CID 119642923) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
PubChem CID119642923
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(N)(CC)CC)cc1OC
InChIInChI=1S/C17H27ClN2O3/c1-5-8-23-15-13(18)9-12(10-14(15)22-4)16(21)20-11-17(19,6-2)7-3/h9-10H,5-8,11,19H2,1-4H3,(H,20,21)
InChIKeyPMSMUKSJBFWSSN-UHFFFAOYSA-N
XLogP3.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
N-(2-amino-2-ethylbutyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119639659
3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
CID 29296275
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
CID 112807261
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide (CID 119642923) is N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(N)(CC)CC)cc1OC.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide?
The InChIKey is PMSMUKSJBFWSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-5-8-23-15-13(18)9-12(10-14(15)22-4)16(21)20-11-17(19,6-2)7-3/h9-10H,5-8,11,19H2,1-4H3,(H,20,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide?
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide has a molecular weight of 342.87 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 119642923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).