N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride

C15H24ClN3O3 — CID 119420848

IUPACN-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CNC(=O)CCC(C)C)c1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-10(2)4-7-14(19)17-9-15(20)18-13-8-11(21-3)5-6-12(13)16;/h5-6,8,10H,4,7,9,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyCKDCCTPZQMUANR-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride

N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119420848) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
PubChem CID119420848
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC NameN-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CNC(=O)CCC(C)C)c1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-10(2)4-7-14(19)17-9-15(20)18-13-8-11(21-3)5-6-12(13)16;/h5-6,8,10H,4,7,9,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyCKDCCTPZQMUANR-UHFFFAOYSA-N
XLogP2.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
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CID 63257845
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CID 119421763
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557
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CID 119421736
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride (CID 119420848) is N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride is COc1ccc(N)c(NC(=O)CNC(=O)CCC(C)C)c1.Cl.
What is the InChIKey of N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is CKDCCTPZQMUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-10(2)4-7-14(19)17-9-15(20)18-13-8-11(21-3)5-6-12(13)16;/h5-6,8,10H,4,7,9,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119420848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).