N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride

C14H22ClN3O3 — CID 119680210

IUPACN-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(NC(C)=O)ccc1OC.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10(18)16-11-6-7-13(20-3)12(9-11)17-14(19)5-4-8-15-2;/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyKYIMTRWSKUBOPX-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.01
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride

N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119680210) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119680210
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(NC(C)=O)ccc1OC.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-10(18)16-11-6-7-13(20-3)12(9-11)17-14(19)5-4-8-15-2;/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyKYIMTRWSKUBOPX-UHFFFAOYSA-N
XLogP2.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119751510

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride (CID 119680210) is N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(NC(C)=O)ccc1OC.Cl.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is KYIMTRWSKUBOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-10(18)16-11-6-7-13(20-3)12(9-11)17-14(19)5-4-8-15-2;/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119680210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).