N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide

C14H22N2O — CID 28564730

IUPACN-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(12-8-6-5-7-9-12)15-10-13(17)16-14(2,3)4/h5-9,11,15H,10H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyIWTLESRMUUTRHX-NSHDSACASA-N
MW234.34 g/mol
LogP2.25
Rot. Bonds4

About N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide

N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 28564730) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
PubChem CID28564730
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(12-8-6-5-7-9-12)15-10-13(17)16-14(2,3)4/h5-9,11,15H,10H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyIWTLESRMUUTRHX-NSHDSACASA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 28564730) is N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide is C[C@H](NCC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is IWTLESRMUUTRHX-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(12-8-6-5-7-9-12)15-10-13(17)16-14(2,3)4/h5-9,11,15H,10H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide?
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 28564730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).