N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide

C23H28N4O4 — CID 71491154

IUPACN-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)NCCCNC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N4O4/c1-16(26-22(30)18-10-5-3-6-11-18)20(28)24-14-9-15-25-21(29)17(2)27-23(31)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)/t16-,17-/m0/s1
InChIKeyFSUNJOAYCCWCMV-IRXDYDNUSA-N
MW424.50 g/mol
LogP1.25
Rot. Bonds10

About N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide

N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 71491154) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
PubChem CID71491154
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)NCCCNC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N4O4/c1-16(26-22(30)18-10-5-3-6-11-18)20(28)24-14-9-15-25-21(29)17(2)27-23(31)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)/t16-,17-/m0/s1
InChIKeyFSUNJOAYCCWCMV-IRXDYDNUSA-N
XLogP1.25
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 71491217
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CID 71491153
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
CID 115628431
3-diphenylphosphanyl-N-[(2S)-1-[4-[[(2S)-2-[(3-diphenylphosphanylbenzoyl)amino]propanoyl]amino]butylamino]-1-oxopropan-2-yl]benzamide
CID 122367986
(2S)-3-(2-benzamidopropanoylamino)-2-hydroxypropanoic acid
CID 107832949
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide (CID 71491154) is N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)C(=O)NCCCNC(=O)[C@H](C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is FSUNJOAYCCWCMV-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16(26-22(30)18-10-5-3-6-11-18)20(28)24-14-9-15-25-21(29)17(2)27-23(31)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)/t16-,17-/m0/s1.
What are the key properties of N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 1.25, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 71491154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).