(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide

C26H44N2O2 — CID 166851140

IUPAC(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide
SMILESCCCN(C(=O)CCC[C@@H](C)CC)[C@@H](C)C[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1
InChIInChI=1S/C26H44N2O2/c1-7-17-28(25(29)16-12-13-20(3)8-2)23(6)18-21(4)26(30)27-22(5)19-24-14-10-9-11-15-24/h9-11,14-15,20-23H,7-8,12-13,16-19H2,1-6H3,(H,27,30)/t20-,21+,22+,23-/m0/s1
InChIKeyGCVUJVJLECDHOC-AFXVXQJMSA-N
MW416.65 g/mol
LogP5.60
Rot. Bonds14

About (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide

(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide (PubChem CID 166851140) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide
PubChem CID166851140
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC Name(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide
SMILESCCCN(C(=O)CCC[C@@H](C)CC)[C@@H](C)C[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1
InChIInChI=1S/C26H44N2O2/c1-7-17-28(25(29)16-12-13-20(3)8-2)23(6)18-21(4)26(30)27-22(5)19-24-14-10-9-11-15-24/h9-11,14-15,20-23H,7-8,12-13,16-19H2,1-6H3,(H,27,30)/t20-,21+,22+,23-/m0/s1
InChIKeyGCVUJVJLECDHOC-AFXVXQJMSA-N
XLogP5.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide with MolForge

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Related Compounds

(5S)-5-methyl-N-[(3R)-3-methyl-4-oxo-4-[[(2R)-1-phenylpropan-2-yl]amino]butyl]-N-propylheptanamide
CID 167496660
2-[acetyl(propyl)amino]-2-(methylideneamino)-N-(1-phenylpropan-2-yl)acetamide
CID 163433236
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
N-benzyl-N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenoxybutanamide
CID 133226961
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
N-benzyl-N-butan-2-ylpentanamide
CID 78842113

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide?
The IUPAC name of (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide (CID 166851140) is (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide.
What is the SMILES notation for (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide?
The canonical SMILES for (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide is CCCN(C(=O)CCC[C@@H](C)CC)[C@@H](C)C[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1.
What is the InChIKey of (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide?
The InChIKey is GCVUJVJLECDHOC-AFXVXQJMSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-7-17-28(25(29)16-12-13-20(3)8-2)23(6)18-21(4)26(30)27-22(5)19-24-14-10-9-11-15-24/h9-11,14-15,20-23H,7-8,12-13,16-19H2,1-6H3,(H,27,30)/t20-,21+,22+,23-/m0/s1.
What are the key properties of (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide?
(5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide has a molecular weight of 416.65 g/mol, XLogP of 5.60, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-[(2S,4R)-4-methyl-5-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pentan-2-yl]-N-propylheptanamide is sourced from PubChem (CID 166851140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).