(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide

C16H28N2O — CID 9372884

IUPAC(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-10(15(19)17-3)18-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14,18H,4-9H2,1-3H3,(H,17,19)/t10-,11-,12?,13?,14?,16?/m1/s1
InChIKeyKSNKDLJXFBSTAN-YIZLIVJESA-N
MW264.41 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide

(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide (PubChem CID 9372884) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
PubChem CID9372884
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-10(15(19)17-3)18-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14,18H,4-9H2,1-3H3,(H,17,19)/t10-,11-,12?,13?,14?,16?/m1/s1
InChIKeyKSNKDLJXFBSTAN-YIZLIVJESA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771959
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
3-[1-(1-adamantyl)ethylamino]butan-1-ol
CID 83176774
1-(1-adamantyl)-3-[1-(1-adamantyl)ethyl]thiourea
CID 127068002
1-(1-adamantyl)ethylhydrazine
CID 23008707
4-[1-(1-adamantyl)ethylamino]-3-amino-4-oxobutanoic acid
CID 64896630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide (CID 9372884) is (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide?
The InChIKey is KSNKDLJXFBSTAN-YIZLIVJESA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(15(19)17-3)18-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h10-14,18H,4-9H2,1-3H3,(H,17,19)/t10-,11-,12?,13?,14?,16?/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide?
(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide has a molecular weight of 264.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 9372884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).