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

C16H26N2O2 — CID 119339581

IUPAC4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)CCCN
InChIInChI=1S/C16H26N2O2/c1-4-13(3)20-15-10-12(2)7-8-14(15)11-18-16(19)6-5-9-17/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,19)
InChIKeyCTWAIPPVMXKJQG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds8

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

4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide (PubChem CID 119339581) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
PubChem CID119339581
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)CCCN
InChIInChI=1S/C16H26N2O2/c1-4-13(3)20-15-10-12(2)7-8-14(15)11-18-16(19)6-5-9-17/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,19)
InChIKeyCTWAIPPVMXKJQG-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
CID 120563702
4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 119339529
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
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
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957690
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339710
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide (CID 119339581) is 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide is CCC(C)Oc1cc(C)ccc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide?
The InChIKey is CTWAIPPVMXKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13(3)20-15-10-12(2)7-8-14(15)11-18-16(19)6-5-9-17/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide?
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.53, 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]butanamide is sourced from PubChem (CID 119339581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).