(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide

C23H32N2O2 — CID 24970715

IUPAC(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-16(2)15-20(24)22(26)25-21(17(3)4)23(27,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,27H,15,24H2,1-4H3,(H,25,26)/t20-,21-/m0/s1
InChIKeyOOBYRAHUVBBPBD-SFTDATJTSA-N
MW368.52 g/mol
LogP3.44
Rot. Bonds8

About (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide (PubChem CID 24970715) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide
PubChem CID24970715
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2O2/c1-16(2)15-20(24)22(26)25-21(17(3)4)23(27,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,27H,15,24H2,1-4H3,(H,25,26)/t20-,21-/m0/s1
InChIKeyOOBYRAHUVBBPBD-SFTDATJTSA-N
XLogP3.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Tl-3-093
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Z-Leu-Abu-CONH-CH2-CHOH-Ph
CID 44353781
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[(2,2-dihydroxy-2-phenylacetyl)amino]-4-methylpentanamide
CID 44300242
2,4-bis(Acetylvalylamino)-1,5-diphenyl-3-pentanol
CID 452447
D-erythro-MAPP
CID 124735
(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide
CID 9821459
2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10597259
N-(1-Cyclooctylmethyl-piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide
CID 10598540
(2R)-2-[(1S,3R)-3-fluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide (CID 24970715) is (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide?
The InChIKey is OOBYRAHUVBBPBD-SFTDATJTSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-16(2)15-20(24)22(26)25-21(17(3)4)23(27,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,27H,15,24H2,1-4H3,(H,25,26)/t20-,21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide has a molecular weight of 368.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 24970715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).