4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide

C17H28N2O2 — CID 120563702

IUPAC4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)CCC(C)N
InChIInChI=1S/C17H28N2O2/c1-5-14(4)21-16-10-12(2)6-8-15(16)11-19-17(20)9-7-13(3)18/h6,8,10,13-14H,5,7,9,11,18H2,1-4H3,(H,19,20)
InChIKeyKEDGVVMUHXUIMX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.92
Rot. Bonds8

About 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide

4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide (PubChem CID 120563702) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
PubChem CID120563702
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)CCC(C)N
InChIInChI=1S/C17H28N2O2/c1-5-14(4)21-16-10-12(2)6-8-15(16)11-19-17(20)9-7-13(3)18/h6,8,10,13-14H,5,7,9,11,18H2,1-4H3,(H,19,20)
InChIKeyKEDGVVMUHXUIMX-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
CID 119339581
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992363
(2S)-2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 119339563
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957690
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
CID 120562424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide (CID 120563702) is 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide is CCC(C)Oc1cc(C)ccc1CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide?
The InChIKey is KEDGVVMUHXUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-14(4)21-16-10-12(2)6-8-15(16)11-19-17(20)9-7-13(3)18/h6,8,10,13-14H,5,7,9,11,18H2,1-4H3,(H,19,20).
What are the key properties of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide?
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 120563702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).