N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide

C13H20N2O2 — CID 96661325

IUPACN-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)14-8-11-7-12(15-10(3)16)5-6-13(11)17-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeySIJVWUXGHMVXIV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds5

About N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide

N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 96661325) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
PubChem CID96661325
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)14-8-11-7-12(15-10(3)16)5-6-13(11)17-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeySIJVWUXGHMVXIV-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
N-[3-[2-(cyclopropylamino)propyl]-4-methoxyphenyl]acetamide
CID 112513577
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
N-[[2-methoxy-5-(methylamino)phenyl]methyl]acetamide
CID 67557905
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide (CID 96661325) is N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide is COc1ccc(NC(C)=O)cc1CNC(C)C.
What is the InChIKey of N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is SIJVWUXGHMVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)14-8-11-7-12(15-10(3)16)5-6-13(11)17-4/h5-7,9,14H,8H2,1-4H3,(H,15,16).
What are the key properties of N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide?
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 96661325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).