2-[(4-methoxyphenyl)methyl]hexanediamide

C14H20N2O3 — CID 146373725

IUPAC2-[(4-methoxyphenyl)methyl]hexanediamide
SMILESCOc1ccc(CC(CCCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-19-12-7-5-10(6-8-12)9-11(14(16)18)3-2-4-13(15)17/h5-8,11H,2-4,9H2,1H3,(H2,15,17)(H2,16,18)
InChIKeyRVUTZYNBUQAOER-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]hexanediamide

2-[(4-methoxyphenyl)methyl]hexanediamide (PubChem CID 146373725) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]hexanediamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]hexanediamide
PubChem CID146373725
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(4-methoxyphenyl)methyl]hexanediamide
SMILESCOc1ccc(CC(CCCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-19-12-7-5-10(6-8-12)9-11(14(16)18)3-2-4-13(15)17/h5-8,11H,2-4,9H2,1H3,(H2,15,17)(H2,16,18)
InChIKeyRVUTZYNBUQAOER-UHFFFAOYSA-N
XLogP0.99
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
2-benzylheptanediamide
CID 154384370
5-(4-methoxyphenyl)pentanamide
CID 134389506
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
2-(4-methoxyphenyl)octanediamide
CID 170724360
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoic acid
CID 88752303
4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
9-hydroxy-10-(4-methoxyphenyl)decan-5-one
CID 101095744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]hexanediamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]hexanediamide (CID 146373725) is 2-[(4-methoxyphenyl)methyl]hexanediamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]hexanediamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]hexanediamide is COc1ccc(CC(CCCC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]hexanediamide?
The InChIKey is RVUTZYNBUQAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-7-5-10(6-8-12)9-11(14(16)18)3-2-4-13(15)17/h5-8,11H,2-4,9H2,1H3,(H2,15,17)(H2,16,18).
What are the key properties of 2-[(4-methoxyphenyl)methyl]hexanediamide?
2-[(4-methoxyphenyl)methyl]hexanediamide has a molecular weight of 264.32 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]hexanediamide is sourced from PubChem (CID 146373725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).