3-amino-N-(2-methoxy-4-methylphenyl)butanamide

C12H18N2O2 — CID 60928646

IUPAC3-amino-N-(2-methoxy-4-methylphenyl)butanamide
SMILESCOc1cc(C)ccc1NC(=O)CC(C)N
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(11(6-8)16-3)14-12(15)7-9(2)13/h4-6,9H,7,13H2,1-3H3,(H,14,15)
InChIKeyRZRFWOSCPZUYJD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.68
Rot. Bonds4

About 3-amino-N-(2-methoxy-4-methylphenyl)butanamide

3-amino-N-(2-methoxy-4-methylphenyl)butanamide (PubChem CID 60928646) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-4-methylphenyl)butanamide
PubChem CID60928646
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-(2-methoxy-4-methylphenyl)butanamide
SMILESCOc1cc(C)ccc1NC(=O)CC(C)N
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(11(6-8)16-3)14-12(15)7-9(2)13/h4-6,9H,7,13H2,1-3H3,(H,14,15)
InChIKeyRZRFWOSCPZUYJD-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
2-benzyl-4-(2-methoxy-4-methylanilino)-4-oxobutanoic acid
CID 166273937
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
2-[2-(2-methoxy-4-methylanilino)-2-oxoethoxy]acetic acid
CID 61328811
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
2-(1-hydroxycyclopentyl)-N-(2-methoxy-4-methylphenyl)acetamide
CID 111537056
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569170

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-4-methylphenyl)butanamide?
The IUPAC name of 3-amino-N-(2-methoxy-4-methylphenyl)butanamide (CID 60928646) is 3-amino-N-(2-methoxy-4-methylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-4-methylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(2-methoxy-4-methylphenyl)butanamide is COc1cc(C)ccc1NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2-methoxy-4-methylphenyl)butanamide?
The InChIKey is RZRFWOSCPZUYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-10(11(6-8)16-3)14-12(15)7-9(2)13/h4-6,9H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-(2-methoxy-4-methylphenyl)butanamide?
3-amino-N-(2-methoxy-4-methylphenyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-4-methylphenyl)butanamide is sourced from PubChem (CID 60928646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).