2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide

C19H26N4O2 — CID 60613258

IUPAC2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N4O2/c20-18(25)22-17(24)11-21-15-3-1-2-4-16(15)23-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,21,23H,5-11H2,(H3,20,22,24,25)
InChIKeyVCPWCPNYZBZDAI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.67
Rot. Bonds5

About 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide

2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide (PubChem CID 60613258) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
PubChem CID60613258
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N4O2/c20-18(25)22-17(24)11-21-15-3-1-2-4-16(15)23-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,21,23H,5-11H2,(H3,20,22,24,25)
InChIKeyVCPWCPNYZBZDAI-UHFFFAOYSA-N
XLogP2.67
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 51129921
N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
CID 52819195
tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
CID 60609789
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
CID 9345285
N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60590759
2-(1-adamantylamino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7666448
N-(2-methylphenyl)adamantan-1-amine
CID 68755177
N-(1-adamantyl)-3-(2-methylanilino)propanamide
CID 37248010
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide
CID 60610002
2-(1-adamantylamino)-1-phenylethanone
CID 14291475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide?
The IUPAC name of 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide (CID 60613258) is 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide is NC(=O)NC(=O)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide?
The InChIKey is VCPWCPNYZBZDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-18(25)22-17(24)11-21-15-3-1-2-4-16(15)23-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,21,23H,5-11H2,(H3,20,22,24,25).
What are the key properties of 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide?
2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide is sourced from PubChem (CID 60613258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).