4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide

C16H26N2O2 — CID 119339529

IUPAC4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCN)c(OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12-7-8-13(11-18-15(19)6-5-9-17)14(10-12)20-16(2,3)4/h7-8,10H,5-6,9,11,17H2,1-4H3,(H,18,19)
InChIKeyGUWGCMMETCFHPY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds6

About 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide

4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide (PubChem CID 119339529) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
PubChem CID119339529
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCN)c(OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12-7-8-13(11-18-15(19)6-5-9-17)14(10-12)20-16(2,3)4/h7-8,10H,5-6,9,11,17H2,1-4H3,(H,18,19)
InChIKeyGUWGCMMETCFHPY-UHFFFAOYSA-N
XLogP2.53
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 ≤ 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]butanamide
CID 119339581
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111975000
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
3-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119811481
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide (CID 119339529) is 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide is Cc1ccc(CNC(=O)CCCN)c(OC(C)(C)C)c1.
What is the InChIKey of 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
The InChIKey is GUWGCMMETCFHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-7-8-13(11-18-15(19)6-5-9-17)14(10-12)20-16(2,3)4/h7-8,10H,5-6,9,11,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide?
4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.53, 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-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide is sourced from PubChem (CID 119339529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).