trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide

C17H30N2O2 — CID 146282550

IUPACtrans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCC1[C@H](C)[C@H](C)CC1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-8-9-14-12(3)11(2)10-17(14,18-13(4)20)15(21)19-16(5,6)7/h8,11-12,14H,1,9-10H2,2-7H3,(H,18,20)(H,19,21)/t11-,12-,14?,17?/m1/s1
InChIKeyYWFJQGMRWBYXCM-OKJNYLHPSA-N
MW294.44 g/mol
LogP2.64
Rot. Bonds4

About trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide

trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 146282550) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
PubChem CID146282550
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nametrans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCC1[C@H](C)[C@H](C)CC1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-8-9-14-12(3)11(2)10-17(14,18-13(4)20)15(21)19-16(5,6)7/h8,11-12,14H,1,9-10H2,2-7H3,(H,18,20)(H,19,21)/t11-,12-,14?,17?/m1/s1
InChIKeyYWFJQGMRWBYXCM-OKJNYLHPSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide (CID 146282550) is trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide is C=CCC1[C@H](C)[C@H](C)CC1(NC(C)=O)C(=O)NC(C)(C)C.
What is the InChIKey of trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is YWFJQGMRWBYXCM-OKJNYLHPSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-8-9-14-12(3)11(2)10-17(14,18-13(4)20)15(21)19-16(5,6)7/h8,11-12,14H,1,9-10H2,2-7H3,(H,18,20)(H,19,21)/t11-,12-,14?,17?/m1/s1.
What are the key properties of trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide?
trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-1-acetamido-N-tert-butyl-3,4-dimethyl-2-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 146282550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).