N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide

C26H39N3O2 — CID 75631226

IUPACN-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc(C(CNCC(C)N)NC(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C26H39N3O2/c1-5-9-19(2)18-31-24-14-12-23(13-15-24)25(17-28-16-20(3)27)29-26(30)21(4)22-10-7-6-8-11-22/h6-8,10-15,19-21,25,28H,5,9,16-18,27H2,1-4H3,(H,29,30)
InChIKeyGTTKLEBZPYVCSG-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.40
Rot. Bonds13

About N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide

N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide (PubChem CID 75631226) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
PubChem CID75631226
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC NameN-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc(C(CNCC(C)N)NC(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C26H39N3O2/c1-5-9-19(2)18-31-24-14-12-23(13-15-24)25(17-28-16-20(3)27)29-26(30)21(4)22-10-7-6-8-11-22/h6-8,10-15,19-21,25,28H,5,9,16-18,27H2,1-4H3,(H,29,30)
InChIKeyGTTKLEBZPYVCSG-UHFFFAOYSA-N
XLogP4.40
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
CID 51355030
(2S)-2-amino-3-methyl-N-[(2S)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
CID 67437012
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-[methyl(pyridin-4-yl)amino]ethyl]-2-phenylpropanamide
CID 67436806
N-[(2R)-2-[(2-iodo-2-phenylacetyl)amino]-2-[4-(2-methylpentoxy)phenyl]ethyl]propanamide
CID 129058709
(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
CID 51354470
N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
CID 140569565
(2S)-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-(2-phenylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 67438225
N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 129058692
(2S)-N-[(1R)-2-[1H-indol-3-yl(methyl)amino]-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
CID 67438825
(2S)-N-[(R)-(5-methyl-1,3,4-oxadiazol-2-yl)-[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 162664171
N-benzylformamide;methyl 2-[4-(2-methylpentoxy)phenyl]propanoate
CID 169109476
tert-butyl N-methyl-N-[2-[[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]acetyl]amino]ethyl]carbamate
CID 162652578

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The IUPAC name of N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide (CID 75631226) is N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide is CCCC(C)COc1ccc(C(CNCC(C)N)NC(=O)C(C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The InChIKey is GTTKLEBZPYVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-5-9-19(2)18-31-24-14-12-23(13-15-24)25(17-28-16-20(3)27)29-26(30)21(4)22-10-7-6-8-11-22/h6-8,10-15,19-21,25,28H,5,9,16-18,27H2,1-4H3,(H,29,30).
What are the key properties of N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide has a molecular weight of 425.62 g/mol, XLogP of 4.40, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 75631226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).