N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide

C13H20N2O2 — CID 60683260

IUPACN-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCOc1cccc(CNC(=O)CNC(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-9-13(16)15-8-11-5-4-6-12(7-11)17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyVQXKNBSJBJIVGG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide

N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60683260) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID60683260
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCOc1cccc(CNC(=O)CNC(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-9-13(16)15-8-11-5-4-6-12(7-11)17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyVQXKNBSJBJIVGG-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 174196538
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25171374
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide (CID 60683260) is N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide is COc1cccc(CNC(=O)CNC(C)C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is VQXKNBSJBJIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)14-9-13(16)15-8-11-5-4-6-12(7-11)17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60683260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).