(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide

C25H34N2O3 — CID 100534858

IUPAC(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-5-16-26-25(29)20(4)27(17-15-21-9-7-6-8-10-21)24(28)18-30-23-13-11-22(12-14-23)19(2)3/h6-14,19-20H,5,15-18H2,1-4H3,(H,26,29)/t20-/m0/s1
InChIKeyMSRUPOAZECDPAC-FQEVSTJZSA-N
MW410.56 g/mol
LogP4.17
Rot. Bonds11

About (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide

(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 100534858) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID100534858
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-5-16-26-25(29)20(4)27(17-15-21-9-7-6-8-10-21)24(28)18-30-23-13-11-22(12-14-23)19(2)3/h6-14,19-20H,5,15-18H2,1-4H3,(H,26,29)/t20-/m0/s1
InChIKeyMSRUPOAZECDPAC-FQEVSTJZSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100635750
(2S)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534513
(2R)-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535565
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
CID 132706995
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132727940
(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100520603
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132663765
2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132709843
(2S)-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100528063
2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132986920
N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708529
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide (CID 100534858) is (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is MSRUPOAZECDPAC-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-16-26-25(29)20(4)27(17-15-21-9-7-6-8-10-21)24(28)18-30-23-13-11-22(12-14-23)19(2)3/h6-14,19-20H,5,15-18H2,1-4H3,(H,26,29)/t20-/m0/s1.
What are the key properties of (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 100534858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).