5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide

C15H24N2O2 — CID 82012253

IUPAC5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCOCc1cccc(CNC(=O)CCC(C)CN)c1
InChIInChI=1S/C15H24N2O2/c1-12(9-16)6-7-15(18)17-10-13-4-3-5-14(8-13)11-19-2/h3-5,8,12H,6-7,9-11,16H2,1-2H3,(H,17,18)
InChIKeyAADQPNAVOITZNK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds8

About 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide

5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide (PubChem CID 82012253) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
PubChem CID82012253
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCOCc1cccc(CNC(=O)CCC(C)CN)c1
InChIInChI=1S/C15H24N2O2/c1-12(9-16)6-7-15(18)17-10-13-4-3-5-14(8-13)11-19-2/h3-5,8,12H,6-7,9-11,16H2,1-2H3,(H,17,18)
InChIKeyAADQPNAVOITZNK-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 87016166
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide (CID 82012253) is 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide is COCc1cccc(CNC(=O)CCC(C)CN)c1.
What is the InChIKey of 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
The InChIKey is AADQPNAVOITZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(9-16)6-7-15(18)17-10-13-4-3-5-14(8-13)11-19-2/h3-5,8,12H,6-7,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 82012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).