(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide

C17H30N2O — CID 103929652

IUPAC(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-16(2,3)14(18)15(20)19-10-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14H,4-10,18H2,1-3H3,(H,19,20)/t11?,12?,13?,14-,17?/m0/s1
InChIKeyGVFYBEVKYZTIIZ-ZZTKBFGJSA-N
MW278.44 g/mol
LogP2.69
Rot. Bonds3

About (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide

(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide (PubChem CID 103929652) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
PubChem CID103929652
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-16(2,3)14(18)15(20)19-10-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14H,4-10,18H2,1-3H3,(H,19,20)/t11?,12?,13?,14-,17?/m0/s1
InChIKeyGVFYBEVKYZTIIZ-ZZTKBFGJSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 11659300
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
N-[(3R)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 44157844
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
PF-877423
CID 11601544
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-methylacetamide
CID 23645895
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
CID 23645899
(2R)-N-(adamantan-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 11565519
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 11551248

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide (CID 103929652) is (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is GVFYBEVKYZTIIZ-ZZTKBFGJSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2,3)14(18)15(20)19-10-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14H,4-10,18H2,1-3H3,(H,19,20)/t11?,12?,13?,14-,17?/m0/s1.
What are the key properties of (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide?
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 278.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 103929652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).