4-amino-N-[3-(methoxymethyl)phenyl]butanamide

C12H18N2O2 — CID 43698497

IUPAC4-amino-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCOCc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C12H18N2O2/c1-16-9-10-4-2-5-11(8-10)14-12(15)6-3-7-13/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyQQRVKMKGMJGUPJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.51
Rot. Bonds6

About 4-amino-N-[3-(methoxymethyl)phenyl]butanamide

4-amino-N-[3-(methoxymethyl)phenyl]butanamide (PubChem CID 43698497) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-[3-(methoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(methoxymethyl)phenyl]butanamide
PubChem CID43698497
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCOCc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C12H18N2O2/c1-16-9-10-4-2-5-11(8-10)14-12(15)6-3-7-13/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyQQRVKMKGMJGUPJ-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
CID 113440853
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
CID 119324076
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]butanamide (CID 43698497) is 4-amino-N-[3-(methoxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(methoxymethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(methoxymethyl)phenyl]butanamide is COCc1cccc(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[3-(methoxymethyl)phenyl]butanamide?
The InChIKey is QQRVKMKGMJGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-9-10-4-2-5-11(8-10)14-12(15)6-3-7-13/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[3-(methoxymethyl)phenyl]butanamide?
4-amino-N-[3-(methoxymethyl)phenyl]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methoxymethyl)phenyl]butanamide is sourced from PubChem (CID 43698497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).