N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide

C26H31N3O4 — CID 56597885

IUPACN-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C26H31N3O4/c1-16(2)22(15-30)28-24(31)17(3)27-26(33)23(29-25(32)18-9-5-4-6-10-18)21-13-19-11-7-8-12-20(19)14-21/h4-12,15-17,21-23H,13-14H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t17-,22+,23+/m0/s1
InChIKeyCTBORSFQWGTYAC-JJEOQYAHSA-N
MW449.55 g/mol
LogP2.04
Rot. Bonds9

About N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide

N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 56597885) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID56597885
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C26H31N3O4/c1-16(2)22(15-30)28-24(31)17(3)27-26(33)23(29-25(32)18-9-5-4-6-10-18)21-13-19-11-7-8-12-20(19)14-21/h4-12,15-17,21-23H,13-14H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t17-,22+,23+/m0/s1
InChIKeyCTBORSFQWGTYAC-JJEOQYAHSA-N
XLogP2.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-3-(4-fluorophenyl)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56597883
N-[(2R)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 56598017
N-[(2R)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56597576
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
CID 115628431
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200079
N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 93199555
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CID 59710359

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide (CID 56597885) is N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide is CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is CTBORSFQWGTYAC-JJEOQYAHSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-16(2)22(15-30)28-24(31)17(3)27-26(33)23(29-25(32)18-9-5-4-6-10-18)21-13-19-11-7-8-12-20(19)14-21/h4-12,15-17,21-23H,13-14H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t17-,22+,23+/m0/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide?
N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 56597885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).