4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride

C15H25ClN2O3 — CID 120560339

IUPAC4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
SMILESCOCCOc1ccc(NC(=O)CCC(C)N)c(C)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-11-10-13(20-9-8-19-3)5-6-14(11)17-15(18)7-4-12(2)16;/h5-6,10,12H,4,7-9,16H2,1-3H3,(H,17,18);1H
InChIKeyGXZUNWPAYDEPSZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.51
Rot. Bonds8

About 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride

4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride (PubChem CID 120560339) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
PubChem CID120560339
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
SMILESCOCCOc1ccc(NC(=O)CCC(C)N)c(C)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-11-10-13(20-9-8-19-3)5-6-14(11)17-15(18)7-4-12(2)16;/h5-6,10,12H,4,7-9,16H2,1-3H3,(H,17,18);1H
InChIKeyGXZUNWPAYDEPSZ-UHFFFAOYSA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
CID 39353469
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride (CID 120560339) is 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride is COCCOc1ccc(NC(=O)CCC(C)N)c(C)c1.Cl.
What is the InChIKey of 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride?
The InChIKey is GXZUNWPAYDEPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-11-10-13(20-9-8-19-3)5-6-14(11)17-15(18)7-4-12(2)16;/h5-6,10,12H,4,7-9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride?
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).