N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C17H29ClN2O3 — CID 119721211

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-11(2)22-15-8-7-14(9-16(15)21-6)13(4)19-17(20)12(3)10-18-5;/h7-9,11-13,18H,10H2,1-6H3,(H,19,20);1H
InChIKeyMLMSJXOZHNYOJG-UHFFFAOYSA-N
MW344.88 g/mol
LogP2.94
Rot. Bonds8

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119721211) has the molecular formula C17H29ClN2O3 and a molecular weight of 344.88 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119721211
Molecular FormulaC17H29ClN2O3
Molecular Weight344.88 g/mol
Exact Mass344.19
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-11(2)22-15-8-7-14(9-16(15)21-6)13(4)19-17(20)12(3)10-18-5;/h7-9,11-13,18H,10H2,1-6H3,(H,19,20);1H
InChIKeyMLMSJXOZHNYOJG-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.88
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide
CID 48676167
N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 51119931
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153648
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200
2-iodo-N-[[(2-iodoacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153649
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119721211) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1.Cl.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is MLMSJXOZHNYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3.ClH/c1-11(2)22-15-8-7-14(9-16(15)21-6)13(4)19-17(20)12(3)10-18-5;/h7-9,11-13,18H,10H2,1-6H3,(H,19,20);1H.
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 344.88 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119721211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).