4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide

C16H26N2O2 — CID 120588034

IUPAC4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)13-7-5-12(6-8-13)11-18-15(19)9-14(10-17)20-4/h5-8,14H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyPLHIKLUPTOHAJU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.96
Rot. Bonds6

About 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide

4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide (PubChem CID 120588034) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
PubChem CID120588034
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)13-7-5-12(6-8-13)11-18-15(19)9-14(10-17)20-4/h5-8,14H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyPLHIKLUPTOHAJU-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide (CID 120588034) is 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide?
The InChIKey is PLHIKLUPTOHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)13-7-5-12(6-8-13)11-18-15(19)9-14(10-17)20-4/h5-8,14H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide?
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 120588034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).