3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide

C16H26N2O2 — CID 120502281

IUPAC3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
SMILESCCC(CNC(=O)C(C)C(C)N)Oc1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-14(10-18-16(19)12(3)13(4)17)20-15-8-6-7-11(2)9-15/h6-9,12-14H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyMBDLCHCCDCJMGP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds7

About 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide

3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide (PubChem CID 120502281) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
PubChem CID120502281
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
SMILESCCC(CNC(=O)C(C)C(C)N)Oc1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-14(10-18-16(19)12(3)13(4)17)20-15-8-6-7-11(2)9-15/h6-9,12-14H,5,10,17H2,1-4H3,(H,18,19)
InChIKeyMBDLCHCCDCJMGP-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
1-methyl-N-[(2R)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
CID 96529043
1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
CID 96529042
methyl 2-[[(3-amino-2-methylbutanoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 120500577
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 120652172

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide (CID 120502281) is 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide is CCC(CNC(=O)C(C)C(C)N)Oc1cccc(C)c1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide?
The InChIKey is MBDLCHCCDCJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-14(10-18-16(19)12(3)13(4)17)20-15-8-6-7-11(2)9-15/h6-9,12-14H,5,10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide?
3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide is sourced from PubChem (CID 120502281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).