N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide

C15H25N3O2 — CID 18168654

IUPACN-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
SMILESCC(NC(=O)CNC(N)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N3O2/c1-9(18-13(19)8-17-14(16)20)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,18,19)(H3,16,17,20)
InChIKeyGJKDMSPBKRKTQU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide

N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide (PubChem CID 18168654) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
PubChem CID18168654
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
SMILESCC(NC(=O)CNC(N)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N3O2/c1-9(18-13(19)8-17-14(16)20)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,18,19)(H3,16,17,20)
InChIKeyGJKDMSPBKRKTQU-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide
CID 95214689
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8860287
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46557706
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119675316
1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea
CID 108895013
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863390
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide (CID 18168654) is N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide is CC(NC(=O)CNC(N)=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide?
The InChIKey is GJKDMSPBKRKTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(18-13(19)8-17-14(16)20)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,18,19)(H3,16,17,20).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide?
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide is sourced from PubChem (CID 18168654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).