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

C19H34N2O2 — CID 146282548

IUPACtrans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CC[C@H]1C(CC)[C@H](CC)CC1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C19H34N2O2/c1-8-11-16-15(10-3)14(9-2)12-19(16,20-13(4)22)17(23)21-18(5,6)7/h8,14-16H,1,9-12H2,2-7H3,(H,20,22)(H,21,23)/t14-,15?,16+,19?/m1/s1
InChIKeyXMAVVDUWCQRMGT-HITAIPBASA-N
MW322.49 g/mol
LogP3.42
Rot. Bonds6

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

trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 146282548) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide
PubChem CID146282548
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Nametrans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CC[C@H]1C(CC)[C@H](CC)CC1(NC(C)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C19H34N2O2/c1-8-11-16-15(10-3)14(9-2)12-19(16,20-13(4)22)17(23)21-18(5,6)7/h8,14-16H,1,9-12H2,2-7H3,(H,20,22)(H,21,23)/t14-,15?,16+,19?/m1/s1
InChIKeyXMAVVDUWCQRMGT-HITAIPBASA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.42
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-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide (CID 146282548) is trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide is C=CC[C@H]1C(CC)[C@H](CC)CC1(NC(C)=O)C(=O)NC(C)(C)C.
What is the InChIKey of trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is XMAVVDUWCQRMGT-HITAIPBASA-N. The full InChI is InChI=1S/C19H34N2O2/c1-8-11-16-15(10-3)14(9-2)12-19(16,20-13(4)22)17(23)21-18(5,6)7/h8,14-16H,1,9-12H2,2-7H3,(H,20,22)(H,21,23)/t14-,15?,16+,19?/m1/s1.
What are the key properties of trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide?
trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,4R)-1-acetamido-N-tert-butyl-3,4-diethyl-2-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 146282548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).