(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide

C22H29N3O2 — CID 51925594

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
SMILESC[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-16(20(26)24-21(27)25-22(2,3)4)23-19(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-14,16,19,23H,15H2,1-4H3,(H2,24,25,26,27)/t16-,19+/m1/s1
InChIKeyZZRCCBMZLYLCCO-APWZRJJASA-N
MW367.49 g/mol
LogP3.57
Rot. Bonds6

About (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide

(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide (PubChem CID 51925594) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
PubChem CID51925594
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
SMILESC[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-16(20(26)24-21(27)25-22(2,3)4)23-19(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-14,16,19,23H,15H2,1-4H3,(H2,24,25,26,27)/t16-,19+/m1/s1
InChIKeyZZRCCBMZLYLCCO-APWZRJJASA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
CID 47066635
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
CID 28785757
1-(2-amino-1-phenylethyl)-3-tert-butylurea
CID 63767118
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
CID 39983445
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 39983438
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide (CID 51925594) is (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide is C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide?
The InChIKey is ZZRCCBMZLYLCCO-APWZRJJASA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(20(26)24-21(27)25-22(2,3)4)23-19(18-13-9-6-10-14-18)15-17-11-7-5-8-12-17/h5-14,16,19,23H,15H2,1-4H3,(H2,24,25,26,27)/t16-,19+/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide?
(2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide is sourced from PubChem (CID 51925594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).