4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide

C26H33N3O5 — CID 56646444

IUPAC4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
SMILESCCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O5/c1-4-5-11-21(17-30)28-24(31)18(2)27-26(33)23(16-19-9-7-6-8-10-19)29-25(32)20-12-14-22(34-3)15-13-20/h6-10,12-15,17-18,21,23H,4-5,11,16H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t18-,21-,23?/m0/s1
InChIKeyRFSPVMGRDZYRQU-FJOSRBEHSA-N
MW467.57 g/mol
LogP2.41
Rot. Bonds13

About 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide

4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide (PubChem CID 56646444) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
PubChem CID56646444
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
SMILESCCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O5/c1-4-5-11-21(17-30)28-24(31)18(2)27-26(33)23(16-19-9-7-6-8-10-19)29-25(32)20-12-14-22(34-3)15-13-20/h6-10,12-15,17-18,21,23H,4-5,11,16H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t18-,21-,23?/m0/s1
InChIKeyRFSPVMGRDZYRQU-FJOSRBEHSA-N
XLogP2.41
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide with MolForge

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Related Compounds

3-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56646443
N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]-4-(trifluoromethyl)benzamide
CID 56646653
N-[(2S)-3-naphthalen-1-yl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]propan-2-yl]benzamide
CID 56597574
N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56597575
2-[2-[(2-benzamido-3-phenylpropanoyl)amino]propanoylamino]hexanoic acid
CID 77473248
tert-butyl N-[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 54313054
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
N-[(2S)-1-[[(2S)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 88568383

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide (CID 56646444) is 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide is CCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide?
The InChIKey is RFSPVMGRDZYRQU-FJOSRBEHSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-4-5-11-21(17-30)28-24(31)18(2)27-26(33)23(16-19-9-7-6-8-10-19)29-25(32)20-12-14-22(34-3)15-13-20/h6-10,12-15,17-18,21,23H,4-5,11,16H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t18-,21-,23?/m0/s1.
What are the key properties of 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide?
4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 2.41, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 56646444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).