N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride

C14H22ClN3O3 — CID 119278957

IUPACN-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(N)C(C)C)cc1NC(C)=O.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-8(2)13(15)14(19)17-10-5-6-12(20-4)11(7-10)16-9(3)18;/h5-8,13H,15H2,1-4H3,(H,16,18)(H,17,19);1H
InChIKeyDYELYJDOUKMSHE-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.00
Rot. Bonds5

About N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride

N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride (PubChem CID 119278957) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride
PubChem CID119278957
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(N)C(C)C)cc1NC(C)=O.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-8(2)13(15)14(19)17-10-5-6-12(20-4)11(7-10)16-9(3)18;/h5-8,13H,15H2,1-4H3,(H,16,18)(H,17,19);1H
InChIKeyDYELYJDOUKMSHE-UHFFFAOYSA-N
XLogP2.00
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 46542331
(2S)-2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-methylbutanamide
CID 68521811
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride (CID 119278957) is N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride is COc1ccc(NC(=O)C(N)C(C)C)cc1NC(C)=O.Cl.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride?
The InChIKey is DYELYJDOUKMSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-8(2)13(15)14(19)17-10-5-6-12(20-4)11(7-10)16-9(3)18;/h5-8,13H,15H2,1-4H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride?
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119278957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).