2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide

C14H22N2O2 — CID 61171488

IUPAC2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
SMILESCCC(N)C(=O)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(15)14(17)16-11(3)9-18-12-7-5-10(2)6-8-12/h5-8,11,13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyOXSAKPFQSNEFHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds6

About 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide

2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide (PubChem CID 61171488) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
PubChem CID61171488
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
SMILESCCC(N)C(=O)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(15)14(17)16-11(3)9-18-12-7-5-10(2)6-8-12/h5-8,11,13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyOXSAKPFQSNEFHF-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065148
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065149
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 61168701
2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
CID 55064194
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
The IUPAC name of 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide (CID 61171488) is 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide.
What is the SMILES notation for 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
The canonical SMILES for 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide is CCC(N)C(=O)NC(C)COc1ccc(C)cc1.
What is the InChIKey of 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
The InChIKey is OXSAKPFQSNEFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(15)14(17)16-11(3)9-18-12-7-5-10(2)6-8-12/h5-8,11,13H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide is sourced from PubChem (CID 61171488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).