N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride

C16H27ClN2O4 — CID 119803271

IUPACN-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(CCOC)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-17-9-5-6-16(19)18(10-11-20-2)13-7-8-14(21-3)15(12-13)22-4;/h7-8,12,17H,5-6,9-11H2,1-4H3;1H
InChIKeyKSRZSNXTWAELSJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.10
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride

N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119803271) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119803271
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC NameN-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(CCOC)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-17-9-5-6-16(19)18(10-11-20-2)13-7-8-14(21-3)15(12-13)22-4;/h7-8,12,17H,5-6,9-11H2,1-4H3;1H
InChIKeyKSRZSNXTWAELSJ-UHFFFAOYSA-N
XLogP2.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
CID 119186551
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119803301
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119803293
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 71860075
2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 119186550
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride (CID 119803271) is N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(CCOC)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is KSRZSNXTWAELSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-17-9-5-6-16(19)18(10-11-20-2)13-7-8-14(21-3)15(12-13)22-4;/h7-8,12,17H,5-6,9-11H2,1-4H3;1H.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride?
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119803271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).