N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide

C16H30N2O — CID 115400176

IUPACN-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H30N2O/c1-14(2,3)18-12(19)10-17-13-15(4,5)11-7-8-16(13,6)9-11/h11,13,17H,7-10H2,1-6H3,(H,18,19)/t11-,13?,16+/m0/s1
InChIKeyPBQZRHFODRPRCB-VKCPWKDNSA-N
MW266.43 g/mol
LogP2.71
Rot. Bonds3

About N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide

N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide (PubChem CID 115400176) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
PubChem CID115400176
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H30N2O/c1-14(2,3)18-12(19)10-17-13-15(4,5)11-7-8-16(13,6)9-11/h11,13,17H,7-10H2,1-6H3,(H,18,19)/t11-,13?,16+/m0/s1
InChIKeyPBQZRHFODRPRCB-VKCPWKDNSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide with MolForge

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Related Compounds

1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
CID 66047372
3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 64676714
2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 115400209
2-methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65108207
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
CID 107245182
2-methyl-1-methylsulfanyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103829315
methyl 4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 115400634
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
CID 115400849
2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 79270895
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate
CID 107237375

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide (CID 115400176) is N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide is CC(C)(C)NC(=O)CNC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
The InChIKey is PBQZRHFODRPRCB-VKCPWKDNSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2,3)18-12(19)10-17-13-15(4,5)11-7-8-16(13,6)9-11/h11,13,17H,7-10H2,1-6H3,(H,18,19)/t11-,13?,16+/m0/s1.
What are the key properties of N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide has a molecular weight of 266.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide is sourced from PubChem (CID 115400176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).