(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C17H28N2O2 — CID 56746475

IUPAC(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCC(=O)NC(C)(C)C)C2
InChIInChI=1S/C17H28N2O2/c1-11-16(5,6)12-7-8-17(11,9-12)14(21)18-10-13(20)19-15(2,3)4/h12H,1,7-10H2,2-6H3,(H,18,21)(H,19,20)/t12-,17-/m0/s1
InChIKeyIRYSTCPFCYNHMG-SJCJKPOMSA-N
MW292.42 g/mol
LogP2.40
Rot. Bonds3

About (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 56746475) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID56746475
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCC(=O)NC(C)(C)C)C2
InChIInChI=1S/C17H28N2O2/c1-11-16(5,6)12-7-8-17(11,9-12)14(21)18-10-13(20)19-15(2,3)4/h12H,1,7-10H2,2-6H3,(H,18,21)(H,19,20)/t12-,17-/m0/s1
InChIKeyIRYSTCPFCYNHMG-SJCJKPOMSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 142221310
(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 975265
(1S,4S)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 975266
(1S,4S)-N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 1523301
(1R,4R)-N-tert-butyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 1523302
N-[2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]ethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 4483166
(3,3-dimethyl-2-methylenebicyclo[2.2.1]heptyl)-N-{2-[(3,3-dimethyl-2-methylene bicyclo[2.2.1]heptyl)carbonylamino]-isopropyl}carboxamide
CID 4483169
N-(tert-butyl)(3,3-dimethyl-2-methylenebicyclo[2.2.1]heptyl)carboxamide
CID 4633200
3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide
CID 4861760
N-cyclohexyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 4861761
N-hexadecyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 4861763
(3,3-dimethyl-2-methylenebicyclo[2.2.1]heptyl)-N-ethylcarboxamide
CID 4987971

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 56746475) is (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCC(=O)NC(C)(C)C)C2.
What is the InChIKey of (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is IRYSTCPFCYNHMG-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11-16(5,6)12-7-8-17(11,9-12)14(21)18-10-13(20)19-15(2,3)4/h12H,1,7-10H2,2-6H3,(H,18,21)(H,19,20)/t12-,17-/m0/s1.
What are the key properties of (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 56746475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).