4-amino-N-[2-(methoxymethyl)phenyl]butanamide

C12H18N2O2 — CID 43701002

IUPAC4-amino-N-[2-(methoxymethyl)phenyl]butanamide
SMILESCOCc1ccccc1NC(=O)CCCN
InChIInChI=1S/C12H18N2O2/c1-16-9-10-5-2-3-6-11(10)14-12(15)7-4-8-13/h2-3,5-6H,4,7-9,13H2,1H3,(H,14,15)
InChIKeyAMTRRCQYEVFVFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.51
Rot. Bonds6

About 4-amino-N-[2-(methoxymethyl)phenyl]butanamide

4-amino-N-[2-(methoxymethyl)phenyl]butanamide (PubChem CID 43701002) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-[2-(methoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(methoxymethyl)phenyl]butanamide
PubChem CID43701002
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-[2-(methoxymethyl)phenyl]butanamide
SMILESCOCc1ccccc1NC(=O)CCCN
InChIInChI=1S/C12H18N2O2/c1-16-9-10-5-2-3-6-11(10)14-12(15)7-4-8-13/h2-3,5-6H,4,7-9,13H2,1H3,(H,14,15)
InChIKeyAMTRRCQYEVFVFL-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

N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927933
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82963336
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methoxymethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-(methoxymethyl)phenyl]butanamide (CID 43701002) is 4-amino-N-[2-(methoxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(methoxymethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(methoxymethyl)phenyl]butanamide is COCc1ccccc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(methoxymethyl)phenyl]butanamide?
The InChIKey is AMTRRCQYEVFVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-9-10-5-2-3-6-11(10)14-12(15)7-4-8-13/h2-3,5-6H,4,7-9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[2-(methoxymethyl)phenyl]butanamide?
4-amino-N-[2-(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-[2-(methoxymethyl)phenyl]butanamide is sourced from PubChem (CID 43701002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).