2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C21H33N3O3 — CID 26520547

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccc(CN(CC(=O)NCC(C)(C)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-21(2,24-10-12-27-13-11-24)16-22-20(25)15-23(18-6-7-18)14-17-4-8-19(26-3)9-5-17/h4-5,8-9,18H,6-7,10-16H2,1-3H3,(H,22,25)
InChIKeyUMJCBZVYCIRFOV-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.89
Rot. Bonds9

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 26520547) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID26520547
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccc(CN(CC(=O)NCC(C)(C)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-21(2,24-10-12-27-13-11-24)16-22-20(25)15-23(18-6-7-18)14-17-4-8-19(26-3)9-5-17/h4-5,8-9,18H,6-7,10-16H2,1-3H3,(H,22,25)
InChIKeyUMJCBZVYCIRFOV-UHFFFAOYSA-N
XLogP1.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51226589
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8770402
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014264
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
4-methoxy-N-[3-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxobutan-2-yl]benzamide
CID 17473370
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 40702585
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 26520547) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is COc1ccc(CN(CC(=O)NCC(C)(C)N2CCOCC2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is UMJCBZVYCIRFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-21(2,24-10-12-27-13-11-24)16-22-20(25)15-23(18-6-7-18)14-17-4-8-19(26-3)9-5-17/h4-5,8-9,18H,6-7,10-16H2,1-3H3,(H,22,25).
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 375.51 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 26520547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).