N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide

C24H33N3O3 — CID 134027331

IUPACN-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H33N3O3/c1-23(2,3)22(30)25-19-6-4-5-18(10-19)21(29)27-26-20(28)14-24-11-15-7-16(12-24)9-17(8-15)13-24/h4-6,10,15-17H,7-9,11-14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyORBYVFDXMMWOPW-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.04
Rot. Bonds4

About N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide

N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 134027331) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
PubChem CID134027331
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H33N3O3/c1-23(2,3)22(30)25-19-6-4-5-18(10-19)21(29)27-26-20(28)14-24-11-15-7-16(12-24)9-17(8-15)13-24/h4-6,10,15-17H,7-9,11-14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyORBYVFDXMMWOPW-UHFFFAOYSA-N
XLogP4.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 37365014
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 35187050
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
N'-[2-(1-adamantyl)acetyl]-2-chloropyridine-4-carbohydrazide
CID 34056969

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide (CID 134027331) is N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ORBYVFDXMMWOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-23(2,3)22(30)25-19-6-4-5-18(10-19)21(29)27-26-20(28)14-24-11-15-7-16(12-24)9-17(8-15)13-24/h4-6,10,15-17H,7-9,11-14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 411.55 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134027331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).