N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide

C15H23N3O2 — CID 65225971

IUPACN-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(CN)C(C)C)cc1C
InChIInChI=1S/C15H23N3O2/c1-9(2)13(8-16)15(20)18-12-5-6-14(10(3)7-12)17-11(4)19/h5-7,9,13H,8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeySEFCCDXODWIGAL-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.12
Rot. Bonds5

About N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide

N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide (PubChem CID 65225971) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
PubChem CID65225971
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(CN)C(C)C)cc1C
InChIInChI=1S/C15H23N3O2/c1-9(2)13(8-16)15(20)18-12-5-6-14(10(3)7-12)17-11(4)19/h5-7,9,13H,8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeySEFCCDXODWIGAL-UHFFFAOYSA-N
XLogP2.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
CID 65226098
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115187485
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide (CID 65225971) is N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide is CC(=O)Nc1ccc(NC(=O)C(CN)C(C)C)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide?
The InChIKey is SEFCCDXODWIGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)13(8-16)15(20)18-12-5-6-14(10(3)7-12)17-11(4)19/h5-7,9,13H,8,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide?
N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide is sourced from PubChem (CID 65225971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).