2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide

C28H42N4O4 — CID 97305872

IUPAC2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
SMILESCOc1ccc([C@@H](NCC(=O)NCCNC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)C(C)C)cc1
InChIInChI=1S/C28H42N4O4/c1-19(2)27(21-7-11-23(35-5)12-8-21)31-17-25(33)29-15-16-30-26(34)18-32-28(20(3)4)22-9-13-24(36-6)14-10-22/h7-14,19-20,27-28,31-32H,15-18H2,1-6H3,(H,29,33)(H,30,34)/t27-,28-/m0/s1
InChIKeyMXDZFCKKFLSGSU-NSOVKSMOSA-N
MW498.67 g/mol
LogP3.21
Rot. Bonds15

About 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide

2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide (PubChem CID 97305872) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
PubChem CID97305872
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC Name2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
SMILESCOc1ccc([C@@H](NCC(=O)NCCNC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)C(C)C)cc1
InChIInChI=1S/C28H42N4O4/c1-19(2)27(21-7-11-23(35-5)12-8-21)31-17-25(33)29-15-16-30-26(34)18-32-28(20(3)4)22-9-13-24(36-6)14-10-22/h7-14,19-20,27-28,31-32H,15-18H2,1-6H3,(H,29,33)(H,30,34)/t27-,28-/m0/s1
InChIKeyMXDZFCKKFLSGSU-NSOVKSMOSA-N
XLogP3.21
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide with MolForge

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Related Compounds

2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 18137531
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
CID 129372522
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
CID 124515490
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 112801450
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8992802
1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
CID 112796946

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide (CID 97305872) is 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide is COc1ccc([C@@H](NCC(=O)NCCNC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?
The InChIKey is MXDZFCKKFLSGSU-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H42N4O4/c1-19(2)27(21-7-11-23(35-5)12-8-21)31-17-25(33)29-15-16-30-26(34)18-32-28(20(3)4)22-9-13-24(36-6)14-10-22/h7-14,19-20,27-28,31-32H,15-18H2,1-6H3,(H,29,33)(H,30,34)/t27-,28-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide has a molecular weight of 498.67 g/mol, XLogP of 3.21, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 97305872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).