N-(1-adamantylmethyl)-2-amino-N-methylbutanamide

C16H28N2O — CID 54870796

IUPACN-(1-adamantylmethyl)-2-amino-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-3-14(17)15(19)18(2)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,3-10,17H2,1-2H3
InChIKeyUGCZGXNPQAGZEN-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.40
Rot. Bonds4

About N-(1-adamantylmethyl)-2-amino-N-methylbutanamide

N-(1-adamantylmethyl)-2-amino-N-methylbutanamide (PubChem CID 54870796) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-amino-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-amino-N-methylbutanamide
PubChem CID54870796
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(1-adamantylmethyl)-2-amino-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-3-14(17)15(19)18(2)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,3-10,17H2,1-2H3
InChIKeyUGCZGXNPQAGZEN-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-amino-N-methylbutanamide?
The IUPAC name of N-(1-adamantylmethyl)-2-amino-N-methylbutanamide (CID 54870796) is N-(1-adamantylmethyl)-2-amino-N-methylbutanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-amino-N-methylbutanamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-amino-N-methylbutanamide is CCC(N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-amino-N-methylbutanamide?
The InChIKey is UGCZGXNPQAGZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-14(17)15(19)18(2)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,3-10,17H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-2-amino-N-methylbutanamide?
N-(1-adamantylmethyl)-2-amino-N-methylbutanamide has a molecular weight of 264.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-amino-N-methylbutanamide is sourced from PubChem (CID 54870796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).