N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide

C22H30N2O — CID 4039079

IUPACN-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
SMILESO=C(CNC1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(14-23-20-7-3-5-18-4-1-2-6-19(18)20)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4,6,15-17,20,23H,3,5,7-14H2,(H,24,25)
InChIKeyKEODVKSYSSGUQD-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.74
Rot. Bonds4

About N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide

N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide (PubChem CID 4039079) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
PubChem CID4039079
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
SMILESO=C(CNC1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(14-23-20-7-3-5-18-4-1-2-6-19(18)20)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4,6,15-17,20,23H,3,5,7-14H2,(H,24,25)
InChIKeyKEODVKSYSSGUQD-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43410832
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] adamantane-1-carboxylate
CID 7514369
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 61487918
dimethyl 5-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 3882933
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide (CID 4039079) is N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide is O=C(CNC1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The InChIKey is KEODVKSYSSGUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21(14-23-20-7-3-5-18-4-1-2-6-19(18)20)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4,6,15-17,20,23H,3,5,7-14H2,(H,24,25).
What are the key properties of N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide has a molecular weight of 338.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide is sourced from PubChem (CID 4039079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).