N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide

C27H43N3O5 — CID 162656354

IUPACN-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide
SMILESCCCCCCCC(=O)CC(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C27H43N3O5/c1-7-8-9-10-11-12-21(31)18-24(32)29(4)23(17-20-13-15-22(35-6)16-14-20)27(34)30(5)25(19(2)3)26(28)33/h13-16,19,23,25H,7-12,17-18H2,1-6H3,(H2,28,33)/t23-,25+/m1/s1
InChIKeyMZOQPCSPRDBDPG-NOZRDPDXSA-N
MW489.66 g/mol
LogP3.35
Rot. Bonds16

About N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide

N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide (PubChem CID 162656354) has the molecular formula C27H43N3O5 and a molecular weight of 489.66 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide
PubChem CID162656354
Molecular FormulaC27H43N3O5
Molecular Weight489.66 g/mol
Exact Mass489.32
IUPAC NameN-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide
SMILESCCCCCCCC(=O)CC(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C27H43N3O5/c1-7-8-9-10-11-12-21(31)18-24(32)29(4)23(17-20-13-15-22(35-6)16-14-20)27(34)30(5)25(19(2)3)26(28)33/h13-16,19,23,25H,7-12,17-18H2,1-6H3,(H2,28,33)/t23-,25+/m1/s1
InChIKeyMZOQPCSPRDBDPG-NOZRDPDXSA-N
XLogP3.35
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide?
The IUPAC name of N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide (CID 162656354) is N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide.
What is the SMILES notation for N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide?
The canonical SMILES for N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide is CCCCCCCC(=O)CC(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(N)=O)C(C)C.
What is the InChIKey of N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide?
The InChIKey is MZOQPCSPRDBDPG-NOZRDPDXSA-N. The full InChI is InChI=1S/C27H43N3O5/c1-7-8-9-10-11-12-21(31)18-24(32)29(4)23(17-20-13-15-22(35-6)16-14-20)27(34)30(5)25(19(2)3)26(28)33/h13-16,19,23,25H,7-12,17-18H2,1-6H3,(H2,28,33)/t23-,25+/m1/s1.
What are the key properties of N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide?
N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide has a molecular weight of 489.66 g/mol, XLogP of 3.35, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-3-oxodecanamide is sourced from PubChem (CID 162656354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).