N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide

C14H22N2O2 — CID 106152342

IUPACN-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCOCC(CCN)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-11-4-3-5-12(8-11)9-14(17)16-13(6-7-15)10-18-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyKBUVRPHIUBHSKN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.02
Rot. Bonds7

About N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide

N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 106152342) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID106152342
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCOCC(CCN)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-11-4-3-5-12(8-11)9-14(17)16-13(6-7-15)10-18-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyKBUVRPHIUBHSKN-UHFFFAOYSA-N
XLogP1.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 114211535
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
N-(4-amino-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 106152335
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106152091
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
N-(1-bromo-4-methoxybutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 114212001

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide (CID 106152342) is N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide is COCC(CCN)NC(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is KBUVRPHIUBHSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-3-5-12(8-11)9-14(17)16-13(6-7-15)10-18-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 106152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).