N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

C24H33N3O3 — CID 8770435

IUPACN-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-30-21-6-2-16(3-7-21)14-27(20-4-5-20)15-22(28)25-23(29)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h2-3,6-7,17-20H,4-5,8-15H2,1H3,(H2,25,26,28,29)
InChIKeyPTNZKQTXDVUGCT-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.45
Rot. Bonds7

About N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 8770435) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID8770435
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-30-21-6-2-16(3-7-21)14-27(20-4-5-20)15-22(28)25-23(29)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h2-3,6-7,17-20H,4-5,8-15H2,1H3,(H2,25,26,28,29)
InChIKeyPTNZKQTXDVUGCT-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8770402
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
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
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
N-(1-adamantyl)-N-(2-cyanoethyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770729
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (CID 8770435) is N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)cc1.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is PTNZKQTXDVUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-30-21-6-2-16(3-7-21)14-27(20-4-5-20)15-22(28)25-23(29)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h2-3,6-7,17-20H,4-5,8-15H2,1H3,(H2,25,26,28,29).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8770435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).