N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide

C15H23N3O2 — CID 62861269

IUPACN-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN(C)CC1CCC1
InChIInChI=1S/C15H23N3O2/c1-18(9-11-4-3-5-11)10-15(19)17-13-7-6-12(16)8-14(13)20-2/h6-8,11H,3-5,9-10,16H2,1-2H3,(H,17,19)
InChIKeyJNMALJQPKIZHJK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds6

About N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide

N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide (PubChem CID 62861269) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
PubChem CID62861269
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN(C)CC1CCC1
InChIInChI=1S/C15H23N3O2/c1-18(9-11-4-3-5-11)10-15(19)17-13-7-6-12(16)8-14(13)20-2/h6-8,11H,3-5,9-10,16H2,1-2H3,(H,17,19)
InChIKeyJNMALJQPKIZHJK-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63727269
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide
CID 43574894
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide (CID 62861269) is N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide is COc1cc(N)ccc1NC(=O)CN(C)CC1CCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide?
The InChIKey is JNMALJQPKIZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(9-11-4-3-5-11)10-15(19)17-13-7-6-12(16)8-14(13)20-2/h6-8,11H,3-5,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide?
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 62861269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).