2-amino-4-methyl-5-phenoxy-N-phenylpentanamide

C18H22N2O2 — CID 152756408

IUPAC2-amino-4-methyl-5-phenoxy-N-phenylpentanamide
SMILESCC(COc1ccccc1)CC(N)C(=O)Nc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(13-22-16-10-6-3-7-11-16)12-17(19)18(21)20-15-8-4-2-5-9-15/h2-11,14,17H,12-13,19H2,1H3,(H,20,21)
InChIKeyTUXKONCYDVQJTN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.06
Rot. Bonds7

About 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide

2-amino-4-methyl-5-phenoxy-N-phenylpentanamide (PubChem CID 152756408) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-5-phenoxy-N-phenylpentanamide
PubChem CID152756408
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-amino-4-methyl-5-phenoxy-N-phenylpentanamide
SMILESCC(COc1ccccc1)CC(N)C(=O)Nc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(13-22-16-10-6-3-7-11-16)12-17(19)18(21)20-15-8-4-2-5-9-15/h2-11,14,17H,12-13,19H2,1H3,(H,20,21)
InChIKeyTUXKONCYDVQJTN-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
CID 104902849
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
tert-butyl (3S)-3-amino-4-anilino-4-oxobutanoate
CID 54337711
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
propan-2-yl 2-amino-3-phenoxypropanoate
CID 123209648

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide?
The IUPAC name of 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide (CID 152756408) is 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide.
What is the SMILES notation for 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide?
The canonical SMILES for 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide is CC(COc1ccccc1)CC(N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide?
The InChIKey is TUXKONCYDVQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(13-22-16-10-6-3-7-11-16)12-17(19)18(21)20-15-8-4-2-5-9-15/h2-11,14,17H,12-13,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide?
2-amino-4-methyl-5-phenoxy-N-phenylpentanamide has a molecular weight of 298.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-phenoxy-N-phenylpentanamide is sourced from PubChem (CID 152756408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).