N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

C28H34N2O2 — CID 164615874

IUPACN-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-28(2,3)29-20-25(31)24(19-21-13-7-4-8-14-21)30-27(32)26(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-26,29,31H,19-20H2,1-3H3,(H,30,32)/t24-,25-/m0/s1
InChIKeyJLQUKLIKVDVYRH-DQEYMECFSA-N
MW430.59 g/mol
LogP4.30
Rot. Bonds9

About N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (PubChem CID 164615874) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
PubChem CID164615874
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)(C)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-28(2,3)29-20-25(31)24(19-21-13-7-4-8-14-21)30-27(32)26(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-26,29,31H,19-20H2,1-3H3,(H,30,32)/t24-,25-/m0/s1
InChIKeyJLQUKLIKVDVYRH-DQEYMECFSA-N
XLogP4.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (CID 164615874) is N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is CC(C)(C)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The InChIKey is JLQUKLIKVDVYRH-DQEYMECFSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-28(2,3)29-20-25(31)24(19-21-13-7-4-8-14-21)30-27(32)26(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-26,29,31H,19-20H2,1-3H3,(H,30,32)/t24-,25-/m0/s1.
What are the key properties of N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide has a molecular weight of 430.59 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 164615874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).